N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-benzotriazole-5-carboxamide Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=NNN=C3C=C2)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC3=NNN=C3C=C2)[NH+]4CCCC4

InChI

InChI=1S/C20H23N5O2/c1-27-16-7-4-14(5-8-16)19(25-10-2-3-11-25)13-21-20(26)15-6-9-17-18(12-15)23-24-22-17/h4-9,12,19H,2-3,10-11,13H2,1H3,(H,21,26)(H,22,23,24)/p+1/t19-/m0/s1