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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C19H26ClN4O2S+ MolecularWeight: 409.95334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN4O2S/c1-3-24(4-2)27(25,26)19-15-21-9-8-18(19)23-12-10-22(11-13-23)17-7-5-6-16(20)14-17/h5-9,14-15H,3-4,10-13H2,1-2H3/p+1