N,N-diethyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[4-(4-hydroxyphenyl)-1-piperazinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[4-(4-hydroxyphenyl)piperazino]pyridin-1-ium-3-sulfonamide Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c1-3-23(4-2)27(25,26)18-9-10-19(20-15-18)22-13-11-21(12-14-22)16-5-7-17(24)8-6-16/h5-10,15,24H,3-4,11-14H2,1-2H3/p+1