(3R)-1-[(4-ethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(4-ethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N-benzyl-1-[(4-ethoxyphenyl)methyl]-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(4-ethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N-benzyl-1-[(4-ethoxyphenyl)methyl]-N-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-N-benzyl-1-(4-ethoxybenzyl)-N-methyl-piperidin-1-ium-3-carboxamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2/c1-3-27-22-13-11-20(12-14-22)17-25-15-7-10-21(18-25)23(26)24(2)16-19-8-5-4-6-9-19/h4-6,8-9,11-14,21H,3,7,10,15-18H2,1-2H3/p+1/t21-/m1/s1