ethyl 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxidanidyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxidanidyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxido-quinolin-1-ium-3-carboxylate CAS Name: 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxido-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxidoquinolin-1-ium-3-carboxylate Traditional Name: 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxido-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=[N+](C2=CC(=C(C=C2C(=C1C(=O)OCC)C3=CC(=C(C=C3)OC)OC)OC)OC)[O-]

Isomeric SMILES

CCN(CC)CC1=[N+](C2=CC(=C(C=C2C(=C1C(=O)OCC)C3=CC(=C(C=C3)OC)OC)OC)OC)[O-]

InChI

InChI=1S/C27H34N2O7/c1-8-28(9-2)16-20-26(27(30)36-10-3)25(17-11-12-21(32-4)22(13-17)33-5)18-14-23(34-6)24(35-7)15-19(18)29(20)31/h11-15H,8-10,16H2,1-7H3