2-(benzotriazol-1-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CN2C3=CC=CC=C3N=N2)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CN2C3=CC=CC=C3N=N2)[NH+]4CCCC4

InChI

InChI=1S/C21H25N5O2/c1-28-17-10-8-16(9-11-17)20(25-12-4-5-13-25)14-22-21(27)15-26-19-7-3-2-6-18(19)23-24-26/h2-3,6-11,20H,4-5,12-15H2,1H3,(H,22,27)/p+1/t20-/m0/s1