methyl-[1-[(2-oxidanylidene-8-propyl-1H-quinolin-6-yl)carbonyl]piperidin-4-yl]-phenethyl-azanium chloride

Systemtic Name: methyl-[1-[(2-oxidanylidene-8-propyl-1H-quinolin-6-yl)carbonyl]piperidin-4-yl]-phenethyl-azanium chloride Openeye Name: methyl-[1-(2-oxo-8-propyl-1H-quinoline-6-carbonyl)-4-piperidyl]-phenethyl-ammonium chloride CAS Name: methyl-[1-[oxo-(2-oxo-8-propyl-1H-quinolin-6-yl)methyl]-4-piperidinyl]-phenethylammonium chloride IUPAC Name: methyl-[1-(2-oxo-8-propyl-1H-quinoline-6-carbonyl)piperidin-4-yl]-phenethylazanium chloride Traditional Name: [1-(2-keto-8-propyl-1H-quinoline-6-carbonyl)-4-piperidyl]-methyl-phenethyl-ammonium chloride Formula: C27H34ClN3O2 MolecularWeight: 468.03076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)C(=O)N3CCC(CC3)[NH+](C)CCC4=CC=CC=C4)C=CC(=O)N2.[Cl-]

Isomeric SMILES

CCCC1=C2C(=CC(=C1)C(=O)N3CCC(CC3)[NH+](C)CCC4=CC=CC=C4)C=CC(=O)N2.[Cl-]

InChI

InChI=1S/C27H33N3O2.ClH/c1-3-7-21-18-23(19-22-10-11-25(31)28-26(21)22)27(32)30-16-13-24(14-17-30)29(2)15-12-20-8-5-4-6-9-20;/h4-6,8-11,18-19,24H,3,7,12-17H2,1-2H3,(H,28,31);1H