4-[(3-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-methoxyphenyl)methyl]-1-(m-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-m-anisyl-1-(3-methylbenzyl)-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=C1)C[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)OC

InChI

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