N-ethyl-N-phenyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-sulfonamide

Systemtic Name: N-ethyl-N-phenyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-sulfonamide Openeye Name: N-ethyl-N-phenyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-sulfonamide CAS Name: N-ethyl-N-phenyl-6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinesulfonamide IUPAC Name: N-ethyl-N-phenyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-sulfonamide Traditional Name: N-ethyl-N-phenyl-6-(4-pyridin-1-ium-2-ylpiperazino)pyridine-3-sulfonamide Formula: C22H26N5O2S+ MolecularWeight: 424.53914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

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