dimethyl-[3-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamothioyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[2-(4-morpholin-4-iumyl)ethyl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamothioyl]amino]propyl]azanium Traditional Name: 3-[[(2-keto-6-methyl-1H-quinolin-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H37N5O2S+2 MolecularWeight: 447.63718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C23H35N5O2S/c1-18-5-6-21-19(15-18)16-20(22(29)25-21)17-28(10-9-27-11-13-30-14-12-27)23(31)24-7-4-8-26(2)3/h5-6,15-16H,4,7-14,17H2,1-3H3,(H,24,31)(H,25,29)/p+2