[2-[(6,7-dimethoxy-1-methyl-quinolin-1-ium-3-yl)carbonylamino]-3-methyl-butyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [2-[(6,7-dimethoxy-1-methyl-quinolin-1-ium-3-yl)carbonylamino]-3-methyl-butyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-[(6,7-dimethoxy-1-methyl-quinolin-1-ium-3-carbonyl)amino]-3-methyl-butyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-[[(6,7-dimethoxy-1-methyl-3-quinolin-1-iumyl)-oxomethyl]amino]-3-methylbutyl] ester IUPAC Name: [2-[(6,7-dimethoxy-1-methylquinolin-1-ium-3-carbonyl)amino]-3-methylbutyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-[(6,7-dimethoxy-1-methyl-quinolin-1-ium-3-carbonyl)amino]-3-methyl-butyl] ester Formula: C27H40N3O7+ MolecularWeight: 518.6224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC(=O)CCCNC(=O)OC(C)(C)C)NC(=O)C1=C[N+](=C2C=C(C(=CC2=C1)OC)OC)C

Isomeric SMILES

CC(C)C(COC(=O)CCCNC(=O)OC(C)(C)C)NC(=O)C1=C[N+](=C2C=C(C(=CC2=C1)OC)OC)C

InChI

InChI=1S/C27H39N3O7/c1-17(2)20(16-36-24(31)10-9-11-28-26(33)37-27(3,4)5)29-25(32)19-12-18-13-22(34-7)23(35-8)14-21(18)30(6)15-19/h12-15,17,20H,9-11,16H2,1-8H3,(H-,28,29,32,33)/p+1