1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-yl]methyl]phenyl]ethanone Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C23H30N2O2/c1-18-7-4-5-8-21(18)16-24-11-6-12-25(14-13-24)17-22-15-20(19(2)26)9-10-23(22)27-3/h4-5,7-10,15H,6,11-14,16-17H2,1-3H3/p+1