(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CC4=CC=NN4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+](C3)CC4=CC=NN4

InChI

InChI=1S/C23H26N4O2/c1-29-22-6-2-4-18(14-22)17-7-9-20(10-8-17)25-23(28)19-5-3-13-27(15-19)16-21-11-12-24-26-21/h2,4,6-12,14,19H,3,5,13,15-16H2,1H3,(H,24,26)(H,25,28)/p+1/t19-/m0/s1