N,N-diethyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-sulfonamide Formula: C18H27N5O2S+2 MolecularWeight: 377.50428

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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=CC=[NH+]3

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-3-23(4-2)26(24,25)16-8-9-18(20-15-16)22-13-11-21(12-14-22)17-7-5-6-10-19-17/h5-10,15H,3-4,11-14H2,1-2H3/p+2