dimethyl-[3-[[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[(2R)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]propyl]ammonium Formula: C17H31N4S+ MolecularWeight: 323.51984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=S)NCCC[NH+](C)C

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C17H30N4S/c1-19(2)12-8-11-18-17(22)21-14-6-4-5-9-16(21)15-10-7-13-20(15)3/h7,10,13,16H,4-6,8-9,11-12,14H2,1-3H3,(H,18,22)/p+1/t16-/m1/s1