N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C19H28N4O2S+2 MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC[NH+](CC3)C

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C19H26N4O2S/c1-3-23(17-8-5-4-6-9-17)26(24,25)18-10-11-19(20-16-18)22-13-7-12-21(2)14-15-22/h4-6,8-11,16H,3,7,12-15H2,1-2H3/p+2