2-[4-(1-methylquinolin-1-ium-7-yl)piperazin-1-yl]ethanol iodide

Systemtic Name: 2-[4-(1-methylquinolin-1-ium-7-yl)piperazin-1-yl]ethanol iodide Openeye Name: 2-[4-(1-methylquinolin-1-ium-7-yl)piperazin-1-yl]ethanol iodide CAS Name: 2-[4-(1-methyl-7-quinolin-1-iumyl)-1-piperazinyl]ethanol iodide IUPAC Name: 2-[4-(1-methylquinolin-1-ium-7-yl)piperazin-1-yl]ethanol iodide Traditional Name: 2-[4-(1-methylquinolin-1-ium-7-yl)piperazino]ethanol iodide Formula: C16H22IN3O MolecularWeight: 399.26985

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=C(C=C2)N3CCN(CC3)CCO.[I-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=C(C=C2)N3CCN(CC3)CCO.[I-]

InChI

InChI=1S/C16H22N3O.HI/c1-17-6-2-3-14-4-5-15(13-16(14)17)19-9-7-18(8-10-19)11-12-20;/h2-6,13,20H,7-12H2,1H3;1H/q+1;/p-1