N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenyl-triazole-4-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NN(N=C2)C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NN(N=C2)C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C23H27N5O2/c1-30-20-12-10-18(11-13-20)22(27-14-6-3-7-15-27)17-24-23(29)21-16-25-28(26-21)19-8-4-2-5-9-19/h2,4-5,8-13,16,22H,3,6-7,14-15,17H2,1H3,(H,24,29)/p+1/t22-/m0/s1