N-[2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C25H30ClN4O+ MolecularWeight: 437.9849

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN4O/c26-22-11-9-21(10-12-22)19-29-17-14-23(15-18-29)30-24(13-16-27-30)28-25(31)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-13,16,23H,4,7-8,14-15,17-19H2,(H,28,31)/p+1