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

Systemtic Name: 6-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-(5-chloro-2-methyl-phenyl)piperazino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C20H28ClN4O2S+ MolecularWeight: 423.97992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C20H27ClN4O2S/c1-4-25(5-2)28(26,27)18-8-9-20(22-15-18)24-12-10-23(11-13-24)19-14-17(21)7-6-16(19)3/h6-9,14-15H,4-5,10-13H2,1-3H3/p+1