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

Systemtic Name: N-ethyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-[4-(4-hydroxyphenyl)-1-piperazinyl]-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-6-[4-(4-hydroxyphenyl)piperazino]-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H26N4O3S/c1-2-27(20-6-4-3-5-7-20)31(29,30)22-12-13-23(24-18-22)26-16-14-25(15-17-26)19-8-10-21(28)11-9-19/h3-13,18,28H,2,14-17H2,1H3/p+1