2-(azepan-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-(4-tosylpiperazino)ethanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H29N3O3S/c1-17-6-8-18(9-7-17)26(24,25)22-14-12-21(13-15-22)19(23)16-20-10-4-2-3-5-11-20/h6-9H,2-5,10-16H2,1H3/p+1