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

Systemtic Name: (5R)-1-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one Openeye Name: (5R)-1-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one CAS Name: (5R)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-1-piperidin-1-iumyl)-2-azepanone IUPAC Name: (5R)-1-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-ium-1-yl)azepan-2-one Traditional Name: (5R)-5-(4-methylpiperidin-1-ium-1-yl)-1-p-anisyl-azepan-2-one Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O2/c1-16-9-12-21(13-10-16)18-5-8-20(23)22(14-11-18)15-17-3-6-19(24-2)7-4-17/h3-4,6-7,16,18H,5,8-15H2,1-2H3/p+1/t18-/m1/s1