(3S)-N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-[(1-methyl-4-pyrazolyl)methyl]-1-(2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-1-ium-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-1-ium-2-yl-nipecotamide Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2CCCN(C2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)[C@H]2CCCN(C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H21N5O/c1-20-11-13(10-19-20)9-18-16(22)14-5-4-8-21(12-14)15-6-2-3-7-17-15/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3,(H,18,22)/p+1/t14-/m0/s1