N-ethyl-N-phenyl-6-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-N-phenyl-6-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-N-phenyl-6-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-N-phenyl-6-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-N-phenyl-6-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-N-phenyl-6-(4-pyridin-1-ium-4-ylpiperazino)pyridin-1-ium-3-sulfonamide Formula: C22H27N5O2S+2 MolecularWeight: 425.54708

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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=[NH+]C=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-2-27(20-6-4-3-5-7-20)30(28,29)21-8-9-22(24-18-21)26-16-14-25(15-17-26)19-10-12-23-13-11-19/h3-13,18H,2,14-17H2,1H3/p+2