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

Systemtic Name: dimethyl-[2-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl]azanium Traditional Name: 2-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C21H30N4O2S/c1-15-6-7-16-12-17(20(26)23-19(16)11-15)14-25(9-8-24(2)3)21(28)22-13-18-5-4-10-27-18/h6-7,11-12,18H,4-5,8-10,13-14H2,1-3H3,(H,22,28)(H,23,26)/p+1/t18-/m1/s1