ethyl 4-(1-methylquinolin-1-ium-7-yl)piperazine-1-carboxylate iodide

Systemtic Name: ethyl 4-(1-methylquinolin-1-ium-7-yl)piperazine-1-carboxylate iodide Openeye Name: ethyl 4-(1-methylquinolin-1-ium-7-yl)piperazine-1-carboxylate iodide CAS Name: 4-(1-methyl-7-quinolin-1-iumyl)-1-piperazinecarboxylic acid ethyl ester iodide IUPAC Name: ethyl 4-(1-methylquinolin-1-ium-7-yl)piperazine-1-carboxylate iodide Traditional Name: 4-(1-methylquinolin-1-ium-7-yl)piperazine-1-carboxylic acid ethyl ester iodide Formula: C17H22IN3O2 MolecularWeight: 427.27995

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC3=C(C=CC=[N+]3C)C=C2.[I-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC3=C(C=CC=[N+]3C)C=C2.[I-]

InChI

InChI=1S/C17H22N3O2.HI/c1-3-22-17(21)20-11-9-19(10-12-20)15-7-6-14-5-4-8-18(2)16(14)13-15;/h4-8,13H,3,9-12H2,1-2H3;1H/q+1;/p-1