[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(2-methyl-1-phenyl-benzimidazol-5-yl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(2-methyl-1-phenyl-benzimidazol-5-yl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(2-methyl-1-phenyl-benzimidazol-5-yl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(2-methyl-1-phenyl-5-benzimidazolyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone Traditional Name: (2-methyl-1-phenyl-benzimidazol-5-yl)-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)N4CCC[NH+](CC4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)N4CCC[NH+](CC4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H30N4O2/c1-21-29-26-19-23(11-14-27(26)32(21)24-7-4-3-5-8-24)28(33)31-16-6-15-30(17-18-31)20-22-9-12-25(34-2)13-10-22/h3-5,7-14,19H,6,15-18,20H2,1-2H3/p+1