4-methoxy-N-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 4-methoxy-N-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-4-methoxy-benzenesulfonamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H24N4O4S/c1-27-16-5-7-17(8-6-16)28(25,26)21-11-9-19(24)23-14-12-22(13-15-23)18-4-2-3-10-20-18/h2-8,10,21H,9,11-15H2,1H3/p+1