7-chloranyl-1-cyclopropyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 7-chloranyl-1-cyclopropyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 6-[2-(tert-butoxycarbonylamino)ethylamino]-7-chloro-1-cyclopropyl-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 7-chloro-1-cyclopropyl-6-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-4-oxo-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 7-chloro-1-cyclopropyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 6-[2-(tert-butoxycarbonylamino)ethylamino]-7-chloro-1-cyclopropyl-4-keto-3H-quinolin-1-ium-3-carboxylic acid Formula: C20H25ClN3O5+ MolecularWeight: 422.8826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC1=C(C=C2C(=C1)C(=O)C(C=[N+]2C3CC3)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC1=C(C=C2C(=C1)C(=O)C(C=[N+]2C3CC3)C(=O)O)Cl

InChI

InChI=1S/C20H24ClN3O5/c1-20(2,3)29-19(28)23-7-6-22-15-8-12-16(9-14(15)21)24(11-4-5-11)10-13(17(12)25)18(26)27/h8-11,13,22H,4-7H2,1-3H3,(H-,23,26,27,28)/p+1