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

Systemtic Name: N-ethyl-N-phenyl-6-(4-propylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-N-phenyl-6-(4-propylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-N-phenyl-6-(4-propyl-1-piperazin-4-iumyl)-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-N-phenyl-6-(4-propylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-N-phenyl-6-(4-propylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide Formula: C20H30N4O2S+2 MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2S/c1-3-12-22-13-15-23(16-14-22)20-11-10-19(17-21-20)27(25,26)24(4-2)18-8-6-5-7-9-18/h5-11,17H,3-4,12-16H2,1-2H3/p+2