(3S)-1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-methoxyphenyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-p-anisyl-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

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