N-[(2S)-pentan-2-yl]-1-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-pentan-2-yl]-1-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-benzyl-N-[(1S)-1-methylbutyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-pentan-2-yl]-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-[(2S)-pentan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-[(1S)-1-methylbutyl]piperidin-1-ium-4-carboxamide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-3-7-15(2)19-18(21)17-10-12-20(13-11-17)14-16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3,(H,19,21)/p+1/t15-/m0/s1