N,N-diethyl-4-[(E)-3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(E)-3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(E)-3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[(E)-3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]prop-1-enyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(E)-3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(E)-3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)prop-1-enyl]benzenesulfonamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-3-26(4-2)30(28,29)20-11-8-19(9-12-20)10-13-22(27)25-17-15-24(16-18-25)21-7-5-6-14-23-21/h5-14H,3-4,15-18H2,1-2H3/p+1/b13-10+