(3S)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[(2-ethoxyphenyl)methyl]-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[(2-ethoxyphenyl)methyl]-N-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-(2-ethoxybenzyl)-N-methyl-piperidin-1-ium-3-carboxamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2/c1-3-27-22-14-8-7-12-20(22)17-25-15-9-13-21(18-25)23(26)24(2)16-19-10-5-4-6-11-19/h4-8,10-12,14,21H,3,9,13,15-18H2,1-2H3/p+1/t21-/m0/s1