N,N-dimethyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-6-sulfanylidene-pyridine-3-sulfonamide

Systemtic Name: N,N-dimethyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-6-sulfanylidene-pyridine-3-sulfonamide Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N,N-dimethyl-6-thioxo-pyridine-3-sulfonamide CAS Name: N,N-dimethyl-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-6-sulfanylidene-3-pyridinesulfonamide IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N,N-dimethyl-6-sulfanylidenepyridine-3-sulfonamide Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N,N-dimethyl-6-thioxo-pyridine-3-sulfonamide Formula: C20H28N3O2S2+ MolecularWeight: 406.58522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CN(C(=S)C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CN(C(=S)C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2S2/c1-21(2)27(24,25)19-8-9-20(26)23(15-19)16-22-12-10-18(11-13-22)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3/p+1