[1-[[(E)-2-(2-chloranylpyridin-3-yl)carbonyl-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]pyrrolidin-2-yl]carbonyl-dimethyl-phenylmethoxycarbonyl-azanium

Systemtic Name: [1-[[(E)-2-(2-chloranylpyridin-3-yl)carbonyl-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]pyrrolidin-2-yl]carbonyl-dimethyl-phenylmethoxycarbonyl-azanium Openeye Name: benzyloxycarbonyl-[1-[[(E)-2-(2-chloropyridine-3-carbonyl)-3-ethoxy-3-oxo-prop-1-enyl]amino]pyrrolidine-2-carbonyl]-dimethyl-ammonium CAS Name: [[1-[[(E)-2-[(2-chloro-3-pyridinyl)-oxomethyl]-3-ethoxy-3-oxoprop-1-enyl]amino]-2-pyrrolidinyl]-oxomethyl]-dimethyl-phenylmethoxycarbonylammonium IUPAC Name: [1-[[(E)-2-(2-chloropyridine-3-carbonyl)-3-ethoxy-3-oxoprop-1-enyl]amino]pyrrolidine-2-carbonyl]-dimethyl-phenylmethoxycarbonylazanium Traditional Name: [1-[[(E)-2-carbethoxy-3-(2-chloro-3-pyridyl)-3-keto-prop-1-enyl]amino]prolyl]-carbobenzoxy-dimethyl-ammonium Formula: C26H30ClN4O6+ MolecularWeight: 529.9926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNN1CCCC1C(=O)[N+](C)(C)C(=O)OCC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCOC(=O)/C(=C/NN1CCCC1C(=O)[N+](C)(C)C(=O)OCC2=CC=CC=C2)/C(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C26H29ClN4O6/c1-4-36-25(34)20(22(32)19-12-8-14-28-23(19)27)16-29-30-15-9-13-21(30)24(33)31(2,3)26(35)37-17-18-10-6-5-7-11-18/h5-8,10-12,14,16,21H,4,9,13,15,17H2,1-3H3/p+1