1-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(o-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-methylbenzyl)-1-p-anisyl-1,4-diazepan-1-ium-5-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CCC2=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CCC2=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O2/c1-17-5-3-4-6-19(17)16-23-14-13-22(12-11-21(23)24)15-18-7-9-20(25-2)10-8-18/h3-10H,11-16H2,1-2H3/p+1