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

Systemtic Name: 6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C20H29ClN4O2S+2 MolecularWeight: 424.98786

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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(=CC=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H27ClN4O2S/c1-3-25(4-2)28(26,27)19-8-9-20(22-15-19)24-12-10-23(11-13-24)16-17-6-5-7-18(21)14-17/h5-9,14-15H,3-4,10-13,16H2,1-2H3/p+2