methyl 5,8-dimethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinolin-1-ium-2-carboxylate

Systemtic Name: methyl 5,8-dimethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinolin-1-ium-2-carboxylate Openeye Name: methyl 4-(4-tert-butoxycarbonylpiperazin-1-yl)-5,8-dimethyl-quinolin-1-ium-2-carboxylate CAS Name: 5,8-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5,8-dimethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinolin-1-ium-2-carboxylate Traditional Name: 4-(4-tert-butoxycarbonylpiperazino)-5,8-dimethyl-quinolin-1-ium-2-carboxylic acid methyl ester Formula: C22H30N3O4+ MolecularWeight: 400.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=[NH+]C2=C(C=C1)C)C(=O)OC)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CC(=[NH+]C2=C(C=C1)C)C(=O)OC)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O4/c1-14-7-8-15(2)19-18(14)17(13-16(23-19)20(26)28-6)24-9-11-25(12-10-24)21(27)29-22(3,4)5/h7-8,13H,9-12H2,1-6H3/p+1