Chemical ID: 7574987

CN1CC[NH+](CC1)C2Cc3ccccc3Sc4c2cc(cc4)C#N
Chemical ID:
7574987
Name [?]:
None
SMILES [?]:
CN1CC[NH+](CC1)C2Cc3ccccc3Sc4c2cc(cc4)C#N
InChi [?]:
InChI=1/C20H21N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,21,22,3,7,4,6,19,9,23,20,10,18,8,15,17,24,2,5,16/E:(8,9)(10,11)/rA:24cCNCCN+CCCCCCCCCCSCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;d18;s19;d20;d17s21;s20;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N3S+
All Atoms:46
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:-17.7989
Area:525.199
Solvation:-30.9289
Coulombic:20.8241
Bond Count [?]
All:27
Single:20
Double:6
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.28
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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