methyl 2-[4-[(4-cyano-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(4-cyano-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(4-cyano-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(4-cyano-1-methyl-2-propyl-1-benzimidazol-1-iumyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-cyano-1-methyl-2-propylbenzimidazol-1-ium-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(4-cyano-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C27H26N3O2+ MolecularWeight: 424.51424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C#N

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C#N

InChI

InChI=1S/C27H26N3O2/c1-4-8-25-29-26-21(17-28)9-7-12-24(26)30(25,2)18-19-13-15-20(16-14-19)22-10-5-6-11-23(22)27(31)32-3/h5-7,9-16H,4,8,18H2,1-3H3/q+1