1-ethyl-8-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-2-pyrrolidin-1-yl-quinolin-1-ium-3-carboxylic acid; methanamine

Systemtic Name: 1-ethyl-8-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-2-pyrrolidin-1-yl-quinolin-1-ium-3-carboxylic acid; methanamine Openeye Name: 1-tert-butoxycarbonyl-1-ethyl-8-methoxy-4-oxo-2-pyrrolidin-1-yl-quinolin-1-ium-3-carboxylic acid; methanamine CAS Name: 1-ethyl-8-methoxy-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-2-(1-pyrrolidinyl)-3-quinolin-1-iumcarboxylic acid; methanamine IUPAC Name: 1-ethyl-8-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-2-pyrrolidin-1-ylquinolin-1-ium-3-carboxylic acid; methanamine Traditional Name: 1-tert-butoxycarbonyl-1-ethyl-4-keto-8-methoxy-2-pyrrolidino-quinolin-1-ium-3-carboxylic acid; methylamine Formula: C23H34N3O6+ MolecularWeight: 448.53256

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=CC=C2OC)C(=O)C(=C1N3CCCC3)C(=O)O)C(=O)OC(C)(C)C.CN

Isomeric SMILES

CC[N+]1(C2=C(C=CC=C2OC)C(=O)C(=C1N3CCCC3)C(=O)O)C(=O)OC(C)(C)C.CN

InChI

InChI=1S/C22H28N2O6.CH5N/c1-6-24(21(28)30-22(2,3)4)17-14(10-9-11-15(17)29-5)18(25)16(20(26)27)19(24)23-12-7-8-13-23;1-2/h9-11H,6-8,12-13H2,1-5H3;2H2,1H3/p+1