1-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O/c1-17(2)27-13-10-19(11-14-27)25-23(29)21-16-28(20-8-4-3-5-9-20)26-22(21)18-7-6-12-24-15-18/h3-9,12,15-17,19H,10-11,13-14H2,1-2H3,(H,25,29)/p+1