6-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C18H27ClN4O2S2+2 MolecularWeight: 431.01558

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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=CC=C(S3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H25ClN4O2S2/c1-3-23(4-2)27(24,25)16-6-8-18(20-13-16)22-11-9-21(10-12-22)14-15-5-7-17(19)26-15/h5-8,13H,3-4,9-12,14H2,1-2H3/p+2