2-[butylcarbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[butylcarbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[butylcarbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[butylamino(sulfanylidene)methyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[butylcarbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[butylthiocarbamoyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC[NH+](C)C)CC1=CC2=C(C=C(C=C2)C)NC1=O

Isomeric SMILES

CCCCNC(=S)N(CC[NH+](C)C)CC1=CC2=C(C=C(C=C2)C)NC1=O

InChI

InChI=1S/C20H30N4OS/c1-5-6-9-21-20(26)24(11-10-23(3)4)14-17-13-16-8-7-15(2)12-18(16)22-19(17)25/h7-8,12-13H,5-6,9-11,14H2,1-4H3,(H,21,26)(H,22,25)/p+1