Chemical ID: 5661418

C[NH+](C)C=Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N=C[NH+](C)C
Chemical ID:
5661418
Name [?]:
[4-[4-(dimethylammoniomethyleneamino)phenyl]sulfonylphenyl]iminomethyl-dimethyl-ammonium
SMILES [?]:
C[NH+](C)C=Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N=C[NH+](C)C
InChi [?]:
InChI=1/C18H22N4O2S/c1-21(2)13-19-15-5-9-17(10-6-15)25(23,24)18-11-7-16(8-12-18)20-14-22(3)4/h5-14H,1-4H3/p+2
InChi Info:
AuxInfo=1/1/N:1,3,24,25,7,11,17,19,8,10,16,20,4,22,6,18,9,15,5,21,2,23,13,14,12/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/CRV:25.6/rA:25nCN+CCNCCCCCCSOOCCCCCCNCN+CC/rB:s1;s2;s2;w4;s5;s6;d7;s8;d9;d6s10;s9;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;w21;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N4O2S+2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-76.2743
Area:576.184
Solvation:-90.6789
Coulombic:77.6104
Bond Count [?]
All:26
Single:16
Double:10
Rotors:6
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:360.475
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.87
LogP (Chemaxon):3.45

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Descriptor Annotations

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