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

Systemtic Name: dimethyl-[2-[[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[(2R)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]ethyl]ammonium Formula: C16H29N4S+ MolecularWeight: 309.49326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4S/c1-18(2)13-10-17-16(21)20-12-6-4-5-8-15(20)14-9-7-11-19(14)3/h7,9,11,15H,4-6,8,10,12-13H2,1-3H3,(H,17,21)/p+1/t15-/m1/s1