4-methyl-1-(2-oxidanylidene-1-sulfo-azetidin-3-yl)imino-2-piperazin-1-yl-4H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 4-methyl-1-(2-oxidanylidene-1-sulfo-azetidin-3-yl)imino-2-piperazin-1-yl-4H-quinolin-1-ium-3-carboxylic acid Openeye Name: 4-methyl-1-(2-oxo-1-sulfo-azetidin-3-yl)imino-2-piperazin-1-yl-4H-quinolin-1-ium-3-carboxylic acid CAS Name: 4-methyl-1-[(2-oxo-1-sulfo-3-azetidinyl)imino]-2-(1-piperazinyl)-4H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 4-methyl-1-(2-oxo-1-sulfoazetidin-3-yl)imino-2-piperazin-1-yl-4H-quinolin-1-ium-3-carboxylic acid Traditional Name: 1-(2-keto-1-sulfo-azetidin-3-yl)imino-4-methyl-2-piperazino-4H-quinolin-1-ium-3-carboxylic acid Formula: C18H22N5O6S+ MolecularWeight: 436.46218

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2[N+](=NC3CN(C3=O)S(=O)(=O)O)C(=C1C(=O)O)N4CCNCC4

Isomeric SMILES

CC1C2=CC=CC=C2[N+](=NC3CN(C3=O)S(=O)(=O)O)C(=C1C(=O)O)N4CCNCC4

InChI

InChI=1S/C18H21N5O6S/c1-11-12-4-2-3-5-14(12)23(20-13-10-22(17(13)24)30(27,28)29)16(15(11)18(25)26)21-8-6-19-7-9-21/h2-5,11,13,19H,6-10H2,1H3,(H-,25,26,27,28,29)/p+1