5-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide Openeye Name: 5-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-1H-pyrazole-3-carboxamide CAS Name: 5-methyl-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide Traditional Name: 5-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-1H-pyrazole-3-carboxamide Formula: C16H28N5O+ MolecularWeight: 306.42642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NC2CCCN(C2)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NN1)C(=O)N[C@H]2CCCN(C2)C3CC[NH+](CC3)C

InChI

InChI=1S/C16H27N5O/c1-12-10-15(19-18-12)16(22)17-13-4-3-7-21(11-13)14-5-8-20(2)9-6-14/h10,13-14H,3-9,11H2,1-2H3,(H,17,22)(H,18,19)/p+1/t13-/m0/s1