N-(1-cyclohexyl-1-oxidanylidene-butan-2-yl)-1-methyl-quinolin-1-ium-3-carboxamide iodide

Systemtic Name: N-(1-cyclohexyl-1-oxidanylidene-butan-2-yl)-1-methyl-quinolin-1-ium-3-carboxamide iodide Openeye Name: N-[1-(cyclohexanecarbonyl)propyl]-1-methyl-quinolin-1-ium-3-carboxamide iodide CAS Name: N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-3-quinolin-1-iumcarboxamide iodide IUPAC Name: N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methylquinolin-1-ium-3-carboxamide iodide Traditional Name: N-[1-(cyclohexanecarbonyl)propyl]-1-methyl-quinolin-1-ium-3-carboxamide iodide Formula: C21H27IN2O2 MolecularWeight: 466.35575

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1CCCCC1)NC(=O)C2=CC3=CC=CC=C3[N+](=C2)C.[I-]

Isomeric SMILES

CCC(C(=O)C1CCCCC1)NC(=O)C2=CC3=CC=CC=C3[N+](=C2)C.[I-]

InChI

InChI=1S/C21H26N2O2.HI/c1-3-18(20(24)15-9-5-4-6-10-15)22-21(25)17-13-16-11-7-8-12-19(16)23(2)14-17;/h7-8,11-15,18H,3-6,9-10H2,1-2H3;1H