3,4-dimethyl-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-N-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide CAS Name: 3,4-dimethyl-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]-3,4-dimethyl-benzenesulfonamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C

InChI

InChI=1S/C21H28N4O3S/c1-17-3-4-20(15-18(17)2)29(27,28)23-10-7-21(26)25-13-11-24(12-14-25)16-19-5-8-22-9-6-19/h3-6,8-9,15,23H,7,10-14,16H2,1-2H3/p+1