Chemical ID: 5659004

Cn1c2ccccc2n(c1=[NH2+])CC(=O)c3ccc(cc3)OC
Chemical ID:
5659004
Name [?]:
[3-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1-methyl-benzoimidazol-2-ylidene]ammonium
SMILES [?]:
Cn1c2ccccc2n(c1=[NH2+])CC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C17H17N3O2/c1-19-14-5-3-4-6-15(14)20(17(19)18)11-16(21)12-7-9-13(22-2)10-8-12/h3-10,18H,11H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,22,5,6,4,7,16,20,17,19,12,15,18,3,8,13,10,11,2,9,14,21/E:(7,8)(9,10)/rA:22nCNCCCCCCNCN+CCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N3O2+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-28.2638
Area:492.04
Solvation:-40.5648
Coulombic:-30.6691
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.344
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.13
LogP (Chemaxon):3.53

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