dimethyl-[2-[[(2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-yl]carbothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[(2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[(2S,5S)-5-methyl-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[(2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioyl]amino]ethyl]ammonium Formula: C17H31N4S+ MolecularWeight: 323.51984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(CC1)C(=S)NCC[NH+](C)C)C2=CC=CN2C

Isomeric SMILES

C[C@H]1CC[C@H](N(CC1)C(=S)NCC[NH+](C)C)C2=CC=CN2C

InChI

InChI=1S/C17H30N4S/c1-14-7-8-16(15-6-5-11-20(15)4)21(12-9-14)17(22)18-10-13-19(2)3/h5-6,11,14,16H,7-10,12-13H2,1-4H3,(H,18,22)/p+1/t14-,16-/m0/s1