4-[(3-methylphenyl)methyl]-1-[(2-prop-2-enoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(3-methylphenyl)methyl]-1-[(2-prop-2-enoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(2-allyloxyphenyl)methyl]-4-(m-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-methylphenyl)methyl]-1-[(2-prop-2-enoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-methylphenyl)methyl]-1-[(2-prop-2-enoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(2-allyloxybenzyl)-4-(3-methylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CCC2=O)CC3=CC=CC=C3OCC=C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CCC2=O)CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C23H28N2O2/c1-3-15-27-22-10-5-4-9-21(22)18-24-12-11-23(26)25(14-13-24)17-20-8-6-7-19(2)16-20/h3-10,16H,1,11-15,17-18H2,2H3/p+1