dimethyl-[2-[(2-methylphenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[2-[(2-methylphenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]azanium Openeye Name: dimethyl-[2-(o-tolylcarbamothioylamino)-1-(3-pyridyl)ethyl]ammonium CAS Name: dimethyl-[2-[[(2-methylanilino)-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]ammonium IUPAC Name: dimethyl-[2-[(2-methylphenyl)carbamothioylamino]-1-pyridin-3-ylethyl]azanium Traditional Name: dimethyl-[2-(o-tolylthiocarbamoylamino)-1-(3-pyridyl)ethyl]ammonium Formula: C17H23N4S+ MolecularWeight: 315.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCC(C2=CN=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCC(C2=CN=CC=C2)[NH+](C)C

InChI

InChI=1S/C17H22N4S/c1-13-7-4-5-9-15(13)20-17(22)19-12-16(21(2)3)14-8-6-10-18-11-14/h4-11,16H,12H2,1-3H3,(H2,19,20,22)/p+1