[(1R)-2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-1-(2-furyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-1-(2-furanyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(3-chloro-4-methylphenyl)carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]-1-(2-furyl)ethyl]-dimethyl-ammonium Formula: C16H21ClN3OS+ MolecularWeight: 338.87544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC(C2=CC=CO2)[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@H](C2=CC=CO2)[NH+](C)C)Cl

InChI

InChI=1S/C16H20ClN3OS/c1-11-6-7-12(9-13(11)17)19-16(22)18-10-14(20(2)3)15-5-4-8-21-15/h4-9,14H,10H2,1-3H3,(H2,18,19,22)/p+1/t14-/m1/s1