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

Systemtic Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-methylpiperidin-1-ium-4-yl)nipecotamide Formula: C20H36N5O+ MolecularWeight: 362.53274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2CCCN(C2)C3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)[C@H]2CCCN(C2)C3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H35N5O/c1-16-14-17(2)25(22-16)11-5-9-21-20(26)18-6-4-10-24(15-18)19-7-12-23(3)13-8-19/h14,18-19H,4-13,15H2,1-3H3,(H,21,26)/p+1/t18-/m0/s1