(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+](C3)CCCN4C=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@H]3CCC[NH+](C3)CCCN4C=CC=N4

InChI

InChI=1S/C25H30N4O2/c1-31-22-12-10-20(11-13-22)23-8-2-3-9-24(23)27-25(30)21-7-4-15-28(19-21)16-6-18-29-17-5-14-26-29/h2-3,5,8-14,17,21H,4,6-7,15-16,18-19H2,1H3,(H,27,30)/p+1/t21-/m0/s1