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

Systemtic Name: 1-(phenylmethyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(1-isopropylpiperidin-1-ium-4-yl)-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: 1-(phenylmethyl)-N-(1-propan-2-yl-4-piperidin-1-iumyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1-isopropylpiperidin-1-ium-4-yl)-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O/c1-18(2)28-13-10-21(11-14-28)26-24(30)22-17-29(16-19-7-4-3-5-8-19)27-23(22)20-9-6-12-25-15-20/h3-9,12,15,17-18,21H,10-11,13-14,16H2,1-2H3,(H,26,30)/p+1