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

Systemtic Name: N-[(2S)-butan-2-yl]-1-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-1-methylpropyl]-1-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-methylbenzyl)-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-4-15(3)19-18(21)17-9-11-20(12-10-17)13-16-7-5-14(2)6-8-16/h5-8,15,17H,4,9-13H2,1-3H3,(H,19,21)/p+1/t15-/m0/s1