4-methyl-6-methylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinolin-1-ium-2-amine

Systemtic Name: 4-methyl-6-methylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinolin-1-ium-2-amine Openeye Name: 4-methyl-6-methylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinolin-1-ium-2-amine CAS Name: 4-methyl-6-(methylthio)-N-[3-(4-morpholin-4-iumyl)propyl]-2-quinolin-1-iumamine IUPAC Name: 4-methyl-6-methylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinolin-1-ium-2-amine Traditional Name: [4-methyl-6-(methylthio)quinolin-1-ium-2-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C18H27N3OS+2 MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H25N3OS/c1-14-12-18(19-6-3-7-21-8-10-22-11-9-21)20-17-5-4-15(23-2)13-16(14)17/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,20)/p+2