dimethyl-[2-[1-pyridin-3-ylethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[1-pyridin-3-ylethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[1-(3-pyridyl)ethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[1-(3-pyridinyl)ethyl-[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[1-pyridin-3-ylethyl-[(2,4,6-trimethylphenyl)carbamothioyl]amino]ethyl]azanium Traditional Name: 2-[mesitylthiocarbamoyl-[1-(3-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C21H31N4S+ MolecularWeight: 371.56264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)N(CC[NH+](C)C)C(C)C2=CN=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)N(CC[NH+](C)C)C(C)C2=CN=CC=C2)C

InChI

InChI=1S/C21H30N4S/c1-15-12-16(2)20(17(3)13-15)23-21(26)25(11-10-24(5)6)18(4)19-8-7-9-22-14-19/h7-9,12-14,18H,10-11H2,1-6H3,(H,23,26)/p+1