[2-[[(4-cyanophenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-(3-ethoxy-3-oxidanylidene-propyl)-phenyl-pyridin-2-yl-azanium

Systemtic Name: [2-[[(4-cyanophenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-(3-ethoxy-3-oxidanylidene-propyl)-phenyl-pyridin-2-yl-azanium Openeye Name: [2-[(4-cyano-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(3-ethoxy-3-oxo-propyl)-phenyl-(2-pyridyl)ammonium CAS Name: [[2-[(4-cyano-N-methylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(3-ethoxy-3-oxopropyl)-phenyl-(2-pyridinyl)ammonium IUPAC Name: [2-[(4-cyano-N-methylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-(3-ethoxy-3-oxopropyl)-phenyl-pyridin-2-ylazanium Traditional Name: [2-[(4-cyano-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(3-ethoxy-3-keto-propyl)-phenyl-(2-pyridyl)ammonium Formula: C34H33N6O3+ MolecularWeight: 573.66422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[N+](C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)N(C(=N4)CN(C)C5=CC=C(C=C5)C#N)C

Isomeric SMILES

CCOC(=O)CC[N+](C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)N(C(=N4)CN(C)C5=CC=C(C=C5)C#N)C

InChI

InChI=1S/C34H33N6O3/c1-4-43-33(41)19-21-40(28-10-6-5-7-11-28,32-12-8-9-20-36-32)34(42)26-15-18-30-29(22-26)37-31(39(30)3)24-38(2)27-16-13-25(23-35)14-17-27/h5-18,20,22H,4,19,21,24H2,1-3H3/q+1