1-[(4-dimethylaminophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one CAS Name: 1-[(4-dimethylaminophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one IUPAC Name: 1-[(4-dimethylaminophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Traditional Name: 1-[4-(dimethylamino)benzyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Formula: C26H28N3O+ MolecularWeight: 398.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NCCC(=O)[N+](=C2C=C1)CC3=CC=C(C=C3)N(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(NCCC(=O)[N+](=C2C=C1)CC3=CC=C(C=C3)N(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O/c1-19-9-14-24-23(17-19)26(21-7-5-4-6-8-21)27-16-15-25(30)29(24)18-20-10-12-22(13-11-20)28(2)3/h4-14,17H,15-16,18H2,1-3H3/p+1