N-[3-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-methoxyphenyl)phenyl]-1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CCCN4C=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CCCN4C=CC=N4

InChI

InChI=1S/C25H30N4O2/c1-31-24-9-3-7-22(19-24)21-6-2-8-23(18-21)27-25(30)20-10-16-28(17-11-20)13-5-15-29-14-4-12-26-29/h2-4,6-9,12,14,18-20H,5,10-11,13,15-17H2,1H3,(H,27,30)/p+1