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

Systemtic Name: 1-[[4-(2-hydroxyethyloxy)phenyl]methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-(o-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[4-(2-hydroxyethoxy)benzyl]-4-(2-methylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-18-4-2-3-5-20(18)17-24-13-12-23(11-10-22(24)26)16-19-6-8-21(9-7-19)27-15-14-25/h2-9,25H,10-17H2,1H3/p+1