N-[3-(3-chlorophenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(3-chlorophenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-chlorophenyl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-chlorophenyl)phenyl]-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-chlorophenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-chlorophenyl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C25H30ClN4O+ MolecularWeight: 437.9849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H29ClN4O/c1-18(2)30-17-19(15-27-30)16-29-11-9-20(10-12-29)25(31)28-24-8-4-6-22(14-24)21-5-3-7-23(26)13-21/h3-8,13-15,17-18,20H,9-12,16H2,1-2H3,(H,28,31)/p+1