N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: N-[3-oxo-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-(4-pyridin-1-ium-4-ylpiperazino)propyl]benzenesulfonamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3S/c23-18(8-11-20-26(24,25)17-4-2-1-3-5-17)22-14-12-21(13-15-22)16-6-9-19-10-7-16/h1-7,9-10,20H,8,11-15H2/p+1