(4-dimethylaminophenyl)methyl-methyl-[(5-pyrrolidin-1-ylsulfonyl-2-sulfanylidene-pyridin-1-yl)methyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-methyl-[(5-pyrrolidin-1-ylsulfonyl-2-sulfanylidene-pyridin-1-yl)methyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-methyl-[(5-pyrrolidin-1-ylsulfonyl-2-thioxo-1-pyridyl)methyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-methyl-[[5-(1-pyrrolidinylsulfonyl)-2-sulfanylidene-1-pyridinyl]methyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-methyl-[(5-pyrrolidin-1-ylsulfonyl-2-sulfanylidenepyridin-1-yl)methyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-methyl-[(5-pyrrolidinosulfonyl-2-thioxo-1-pyridyl)methyl]ammonium Formula: C20H29N4O2S2+ MolecularWeight: 421.59986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)N(C)C)CN2C=C(C=CC2=S)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)N(C)C)CN2C=C(C=CC2=S)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H28N4O2S2/c1-21(2)18-8-6-17(7-9-18)14-22(3)16-23-15-19(10-11-20(23)27)28(25,26)24-12-4-5-13-24/h6-11,15H,4-5,12-14,16H2,1-3H3/p+1