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

Systemtic Name: 3-phenyl-1-(phenylmethyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(1-isopropylpiperidin-1-ium-4-yl)-3-phenyl-pyrazole-4-carboxamide CAS Name: 3-phenyl-1-(phenylmethyl)-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1-isopropylpiperidin-1-ium-4-yl)-3-phenyl-pyrazole-4-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O/c1-19(2)28-15-13-22(14-16-28)26-25(30)23-18-29(17-20-9-5-3-6-10-20)27-24(23)21-11-7-4-8-12-21/h3-12,18-19,22H,13-17H2,1-2H3,(H,26,30)/p+1