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

Systemtic Name: (5R)-1-[(4-methoxyphenyl)methyl]-5-[4-(phenylmethyl)piperidin-1-ium-1-yl]azepan-2-one Openeye Name: (5R)-5-(4-benzylpiperidin-1-ium-1-yl)-1-[(4-methoxyphenyl)methyl]azepan-2-one CAS Name: (5R)-1-[(4-methoxyphenyl)methyl]-5-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-azepanone IUPAC Name: (5R)-5-(4-benzylpiperidin-1-ium-1-yl)-1-[(4-methoxyphenyl)methyl]azepan-2-one Traditional Name: (5R)-5-(4-benzylpiperidin-1-ium-1-yl)-1-p-anisyl-azepan-2-one Formula: C26H35N2O2+ MolecularWeight: 407.5683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC(CCC2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[C@@H](CCC2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O2/c1-30-25-10-7-23(8-11-25)20-28-18-15-24(9-12-26(28)29)27-16-13-22(14-17-27)19-21-5-3-2-4-6-21/h2-8,10-11,22,24H,9,12-20H2,1H3/p+1/t24-/m1/s1