methyl 6-methoxy-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinolin-1-ium-2-carboxylate

Systemtic Name: methyl 6-methoxy-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinolin-1-ium-2-carboxylate Openeye Name: methyl 4-(4-tert-butoxycarbonylpiperazin-1-yl)-6-methoxy-quinolin-1-ium-2-carboxylate CAS Name: 6-methoxy-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinolin-1-ium-2-carboxylate Traditional Name: 4-(4-tert-butoxycarbonylpiperazino)-6-methoxy-quinolin-1-ium-2-carboxylic acid methyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=[NH+]C3=C2C=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=[NH+]C3=C2C=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)29-20(26)24-10-8-23(9-11-24)18-13-17(19(25)28-5)22-16-7-6-14(27-4)12-15(16)18/h6-7,12-13H,8-11H2,1-5H3/p+1