N-[(2S)-butan-2-yl]-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-ethoxyphenyl)methyl]-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-ethoxybenzyl)-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide Formula: C19H31N2O2+ MolecularWeight: 319.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC[NH+](CC1)CC2=CC=CC=C2OCC

Isomeric SMILES

CC[C@H](C)NC(=O)C1CC[NH+](CC1)CC2=CC=CC=C2OCC

InChI

InChI=1S/C19H30N2O2/c1-4-15(3)20-19(22)16-10-12-21(13-11-16)14-17-8-6-7-9-18(17)23-5-2/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,20,22)/p+1/t15-/m0/s1