[(1S)-2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-1-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-chloro-2-methylphenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C19H25ClN3OS+ MolecularWeight: 378.9393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCC(C2=CC(=CC=C2)OC)[NH+](C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC[C@H](C2=CC(=CC=C2)OC)[NH+](C)C

InChI

InChI=1S/C19H24ClN3OS/c1-13-16(20)9-6-10-17(13)22-19(25)21-12-18(23(2)3)14-7-5-8-15(11-14)24-4/h5-11,18H,12H2,1-4H3,(H2,21,22,25)/p+1/t18-/m1/s1