1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H32N4O2/c1-4-30-18-23(19(2)28-30)17-29-13-11-20(12-14-29)26(31)27-24-9-5-7-21(15-24)22-8-6-10-25(16-22)32-3/h5-10,15-16,18,20H,4,11-14,17H2,1-3H3,(H,27,31)/p+1