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

Systemtic Name: methyl 2-[4-[(4-azanyl-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(4-amino-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(4-amino-1-methyl-2-propyl-1-benzimidazol-1-iumyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-amino-1-methyl-2-propylbenzimidazol-1-ium-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(4-amino-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C26H28N3O2+ MolecularWeight: 414.51942

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C26H28N3O2/c1-4-8-24-28-25-22(27)11-7-12-23(25)29(24,2)17-18-13-15-19(16-14-18)20-9-5-6-10-21(20)26(30)31-3/h5-7,9-16H,4,8,17,27H2,1-3H3/q+1