(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H28N4O2/c1-27-15-18(14-25-27)16-28-13-5-6-20(17-28)24(29)26-23-8-4-3-7-22(23)19-9-11-21(30-2)12-10-19/h3-4,7-12,14-15,20H,5-6,13,16-17H2,1-2H3,(H,26,29)/p+1/t20-/m0/s1