2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C18H32N4OS+2 MolecularWeight: 352.53788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NCC[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NCC[NH+](C)C

InChI

InChI=1S/C18H30N4OS/c1-15-5-6-17(23-4)16(13-15)14-21-9-11-22(12-10-21)18(24)19-7-8-20(2)3/h5-6,13H,7-12,14H2,1-4H3,(H,19,24)/p+2