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

Systemtic Name: 1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(Z)-2-chloro-3-phenyl-allyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(Z)-2-chloro-3-phenyl-allyl]-4-p-anisyl-1,4-diazepan-1-ium-5-one Formula: C22H26ClN2O2+ MolecularWeight: 385.90704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC(=CC3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O2/c1-27-21-9-7-19(8-10-21)16-25-14-13-24(12-11-22(25)26)17-20(23)15-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3/p+1/b20-15-