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

Systemtic Name: 6-[4-(4-ethanoylphenyl)piperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-(4-acetylphenyl)piperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(4-acetylphenyl)-1-piperazinyl]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(4-acetylphenyl)piperazin-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-(4-acetylphenyl)piperazino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-4-25(5-2)29(27,28)20-10-11-21(22-16-20)24-14-12-23(13-15-24)19-8-6-18(7-9-19)17(3)26/h6-11,16H,4-5,12-15H2,1-3H3/p+1