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

Systemtic Name: methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-phenylmethoxy-quinolin-1-ium-2-carboxylate Openeye Name: methyl 6-benzyloxy-4-(4-tert-butoxycarbonylpiperazin-1-yl)quinolin-1-ium-2-carboxylate CAS Name: 4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-6-phenylmethoxy-2-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-phenylmethoxyquinolin-1-ium-2-carboxylate Traditional Name: 6-benzoxy-4-(4-tert-butoxycarbonylpiperazino)quinolin-1-ium-2-carboxylic acid methyl ester Formula: C27H32N3O5+ MolecularWeight: 478.56008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=[NH+]C3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=[NH+]C3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H31N3O5/c1-27(2,3)35-26(32)30-14-12-29(13-15-30)24-17-23(25(31)33-4)28-22-11-10-20(16-21(22)24)34-18-19-8-6-5-7-9-19/h5-11,16-17H,12-15,18H2,1-4H3/p+1