2-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide CAS Name: 2-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide Traditional Name: 2-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C(=CC=N1)C(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O/c1-22-18(11-12-20-22)19(24)21-17-10-6-14-23(15-17)13-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-12,17H,5-6,9-10,13-15H2,1H3,(H,21,24)/p+1/t17-/m0/s1