N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)CN3C=NC=N3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)CN3C=NC=N3)[NH+]4CCCC4

InChI

InChI=1S/C23H27N5O2/c1-30-21-10-8-19(9-11-21)22(27-12-2-3-13-27)14-25-23(29)20-6-4-18(5-7-20)15-28-17-24-16-26-28/h4-11,16-17,22H,2-3,12-15H2,1H3,(H,25,29)/p+1/t22-/m0/s1