4-methyl-1-[[4-[methyl(phenyl)amino]phenyl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[[4-[methyl(phenyl)amino]phenyl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-methyl-1-[[4-(N-methylanilino)phenyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[[4-(N-methylanilino)phenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[[4-(N-methylanilino)phenyl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-methyl-1-[4-(N-methylanilino)benzyl]-1,4-diazepan-1-ium-5-one Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)N(C)C3=CC=CC=C3

Isomeric SMILES

CN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)N(C)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O/c1-21-14-15-23(13-12-20(21)24)16-17-8-10-19(11-9-17)22(2)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3/p+1