1-(azepan-1-yl)-2-[4-(6-chloranylpyridin-3-yl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(6-chloranylpyridin-3-yl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[(6-chloro-3-pyridyl)sulfonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(6-chloro-3-pyridinyl)sulfonyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(6-chloropyridin-3-yl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[(6-chloro-3-pyridyl)sulfonyl]piperazin-1-ium-1-yl]ethanone Formula: C17H26ClN4O3S+ MolecularWeight: 401.93134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C17H25ClN4O3S/c18-16-6-5-15(13-19-16)26(24,25)22-11-9-20(10-12-22)14-17(23)21-7-3-1-2-4-8-21/h5-6,13H,1-4,7-12,14H2/p+1