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

Systemtic Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-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=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CCCN4C=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-31-24-8-2-6-21(18-24)20-9-11-23(12-10-20)27-25(30)22-7-3-14-28(19-22)15-5-17-29-16-4-13-26-29/h2,4,6,8-13,16,18,22H,3,5,7,14-15,17,19H2,1H3,(H,27,30)/p+1/t22-/m0/s1