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

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(2-methoxyphenyl)methyl]-4-(o-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-methylbenzyl)-1-o-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=CC=C3OC

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CCC2=O)CC3=CC=CC=C3OC

InChI

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