1-phenyl-N-[(3S)-piperidin-1-ium-3-yl]pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[(3S)-piperidin-1-ium-3-yl]pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-[(3S)-piperidin-1-ium-3-yl]pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[(3S)-3-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-[(3S)-piperidin-1-ium-3-yl]pyrazole-4-carboxamide Traditional Name: 1-phenyl-N-[(3S)-piperidin-1-ium-3-yl]pyrazole-4-carboxamide Formula: C15H19N4O+ MolecularWeight: 271.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N4O/c20-15(18-13-5-4-8-16-10-13)12-9-17-19(11-12)14-6-2-1-3-7-14/h1-3,6-7,9,11,13,16H,4-5,8,10H2,(H,18,20)/p+1/t13-/m0/s1