(5R)-1-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one

Systemtic Name: (5R)-1-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one Openeye Name: (5R)-5-(4-methylpiperidin-1-ium-1-yl)-1-(m-tolylmethyl)azepan-2-one CAS Name: (5R)-1-[(3-methylphenyl)methyl]-5-(4-methyl-1-piperidin-1-iumyl)-2-azepanone IUPAC Name: (5R)-1-[(3-methylphenyl)methyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one Traditional Name: (5R)-1-(3-methylbenzyl)-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CCC(=O)N(CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H]2CCC(=O)N(CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C20H30N2O/c1-16-8-11-21(12-9-16)19-6-7-20(23)22(13-10-19)15-18-5-3-4-17(2)14-18/h3-5,14,16,19H,6-13,15H2,1-2H3/p+1/t19-/m1/s1