(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)nipecotamide Formula: C18H32N5O+ MolecularWeight: 334.47958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNC(=O)C2CCCN(C2)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=NN1C)CNC(=O)[C@H]2CCCN(C2)C3CC[NH+](CC3)C

InChI

InChI=1S/C18H31N5O/c1-14-16(12-20-22(14)3)11-19-18(24)15-5-4-8-23(13-15)17-6-9-21(2)10-7-17/h12,15,17H,4-11,13H2,1-3H3,(H,19,24)/p+1/t15-/m0/s1