(3R)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(2-methylphenyl)-3-phenyl-propan-1-one

Systemtic Name: (3R)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(2-methylphenyl)-3-phenyl-propan-1-one Openeye Name: (3R)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(o-tolyl)-3-phenyl-propan-1-one CAS Name: (3R)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(2-methylphenyl)-3-phenyl-1-propanone IUPAC Name: (3R)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one Traditional Name: (3R)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-(o-tolyl)-3-phenyl-propan-1-one Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)N2CCC[NH+](CC2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1[C@H](CC(=O)N2CCC[NH+](CC2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-18-9-6-7-12-20(18)21(19-10-4-3-5-11-19)17-22(25)24-14-8-13-23(2)15-16-24/h3-7,9-12,21H,8,13-17H2,1-2H3/p+1/t21-/m1/s1