1-[(2-chlorophenyl)methyl]-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-1-(2-chlorobenzyl)pyrazole-4-carboxamide Formula: C24H27ClN5O2+ MolecularWeight: 452.95648

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H26ClN5O2/c25-22-9-5-4-6-18(22)15-30-16-19(14-26-30)24(32)28-21-10-12-29(13-11-21)17-23(31)27-20-7-2-1-3-8-20/h1-9,14,16,21H,10-13,15,17H2,(H,27,31)(H,28,32)/p+1