5-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one Formula: C19H28N5O4S+ MolecularWeight: 422.52172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C19H27N5O4S/c25-18(23-7-3-1-2-4-8-23)14-22-9-11-24(12-10-22)29(27,28)15-5-6-16-17(13-15)21-19(26)20-16/h5-6,13H,1-4,7-12,14H2,(H2,20,21,26)/p+1