1-[[4-[methyl(phenyl)amino]phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[4-[methyl(phenyl)amino]phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Openeye Name: 4-allyl-1-[[4-(N-methylanilino)phenyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[[4-(N-methylanilino)phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[4-(N-methylanilino)phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Traditional Name: 4-allyl-1-[4-(N-methylanilino)benzyl]-1,4-diazepan-1-ium-5-one Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C[NH+]3CCC(=O)N(CC3)CC=C

Isomeric SMILES

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C[NH+]3CCC(=O)N(CC3)CC=C

InChI

InChI=1S/C22H27N3O/c1-3-14-25-17-16-24(15-13-22(25)26)18-19-9-11-21(12-10-19)23(2)20-7-5-4-6-8-20/h3-12H,1,13-18H2,2H3/p+1