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

Systemtic Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1-methyl-4-pyrazolyl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-26-14-17(12-24-26)15-27-11-5-6-18(16-27)22(28)25-20-8-2-3-9-21(20)29-19-7-4-10-23-13-19/h2-4,7-10,12-14,18H,5-6,11,15-16H2,1H3,(H,25,28)/p+1/t18-/m0/s1