N-[(2S)-butan-2-yl]-1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-chlorobenzyl)-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide Formula: C17H26ClN2O+ MolecularWeight: 309.85414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CC[C@H](C)NC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H25ClN2O/c1-3-13(2)19-17(21)15-7-9-20(10-8-15)12-14-5-4-6-16(18)11-14/h4-6,11,13,15H,3,7-10,12H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1