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

Systemtic Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(1-methyl-4-piperidin-1-iumyl)-N-[2-(1-methyl-4-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]nipecotamide Formula: C18H32N5O+ MolecularWeight: 334.47958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)C(=O)NCCC3=CN(N=C3)C

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)NCCC3=CN(N=C3)C

InChI

InChI=1S/C18H31N5O/c1-21-10-6-17(7-11-21)23-9-3-4-16(14-23)18(24)19-8-5-15-12-20-22(2)13-15/h12-13,16-17H,3-11,14H2,1-2H3,(H,19,24)/p+1/t16-/m0/s1