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

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(E)-3-(2-methoxyphenyl)allyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-m-anisyl-1-[(E)-3-(2-methoxyphenyl)allyl]-1,4-diazepan-1-ium-5-one Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CCC2=O)CC=CC3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](CCC2=O)C/C=C/C3=CC=CC=C3OC

InChI

InChI=1S/C23H28N2O3/c1-27-21-10-5-7-19(17-21)18-25-16-15-24(14-12-23(25)26)13-6-9-20-8-3-4-11-22(20)28-2/h3-11,17H,12-16,18H2,1-2H3/p+1/b9-6+