1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(E)-3-(4-dimethylaminophenyl)allyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(E)-3-(4-dimethylaminophenyl)allyl]-4-m-anisyl-1,4-diazepan-1-ium-5-one Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H31N3O2/c1-25(2)22-11-9-20(10-12-22)7-5-14-26-15-13-24(28)27(17-16-26)19-21-6-4-8-23(18-21)29-3/h4-12,18H,13-17,19H2,1-3H3/p+1/b7-5+