6-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C22H30N4O2S2+2 MolecularWeight: 446.6292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C22H28N4O2S2/c1-3-26(4-2)30(27,28)19-9-10-22(23-15-19)25-13-11-24(12-14-25)16-18-17-29-21-8-6-5-7-20(18)21/h5-10,15,17H,3-4,11-14,16H2,1-2H3/p+2