N,N-diethyl-4-methyl-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-methyl-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N,N-diethyl-4-methyl-3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N,N-diethyl-4-methyl-3-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-methyl-3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N,N-diethyl-4-methyl-3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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