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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)N3C=NC=N3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)N3C=NC=N3)[NH+]4CCCC4

InChI

InChI=1S/C22H25N5O2/c1-29-20-10-6-17(7-11-20)21(26-12-2-3-13-26)14-24-22(28)18-4-8-19(9-5-18)27-16-23-15-25-27/h4-11,15-16,21H,2-3,12-14H2,1H3,(H,24,28)/p+1/t21-/m0/s1