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

Systemtic Name: methyl 4-(3,4-dimethoxyphenyl)-2-(3-ethylpentanoyl)-5,6,7-trimethoxy-1-oxidanidyl-quinolin-1-ium-3-carboxylate Openeye Name: methyl 4-(3,4-dimethoxyphenyl)-2-(3-ethylpentanoyl)-5,6,7-trimethoxy-1-oxido-quinolin-1-ium-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-(3-ethyl-1-oxopentyl)-5,6,7-trimethoxy-1-oxido-3-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethoxyphenyl)-2-(3-ethylpentanoyl)-5,6,7-trimethoxy-1-oxidoquinolin-1-ium-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(3-ethylpentanoyl)-5,6,7-trimethoxy-1-oxido-quinolin-1-ium-3-carboxylic acid methyl ester Formula: C29H35NO9 MolecularWeight: 541.5895

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC(=O)C1=[N+](C2=CC(=C(C(=C2C(=C1C(=O)OC)C3=CC(=C(C=C3)OC)OC)OC)OC)OC)[O-]

Isomeric SMILES

CCC(CC)CC(=O)C1=[N+](C2=CC(=C(C(=C2C(=C1C(=O)OC)C3=CC(=C(C=C3)OC)OC)OC)OC)OC)[O-]

InChI

InChI=1S/C29H35NO9/c1-9-16(10-2)13-19(31)26-25(29(32)39-8)23(17-11-12-20(34-3)21(14-17)35-4)24-18(30(26)33)15-22(36-5)27(37-6)28(24)38-7/h11-12,14-16H,9-10,13H2,1-8H3