ethyl 4-(3,4-dimethoxyphenyl)-2-(3-ethylpentyl)-5,6,7-trimethoxy-1-oxidanidyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(3-ethylpentyl)-5,6,7-trimethoxy-1-oxidanidyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(3-ethylpentyl)-5,6,7-trimethoxy-1-oxido-quinolin-1-ium-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-(3-ethylpentyl)-5,6,7-trimethoxy-1-oxido-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(3-ethylpentyl)-5,6,7-trimethoxy-1-oxidoquinolin-1-ium-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(3-ethylpentyl)-5,6,7-trimethoxy-1-oxido-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C30H39NO8 MolecularWeight: 541.63256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCC1=[N+](C2=CC(=C(C(=C2C(=C1C(=O)OCC)C3=CC(=C(C=C3)OC)OC)OC)OC)OC)[O-]

Isomeric SMILES

CCC(CC)CCC1=[N+](C2=CC(=C(C(=C2C(=C1C(=O)OCC)C3=CC(=C(C=C3)OC)OC)OC)OC)OC)[O-]

InChI

InChI=1S/C30H39NO8/c1-9-18(10-2)12-14-20-27(30(32)39-11-3)25(19-13-15-22(34-4)23(16-19)35-5)26-21(31(20)33)17-24(36-6)28(37-7)29(26)38-8/h13,15-18H,9-12,14H2,1-8H3