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

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C19H29N3O4S/c1-26-17-6-8-18(9-7-17)27(24,25)22-14-12-20(13-15-22)16-19(23)21-10-4-2-3-5-11-21/h6-9H,2-5,10-16H2,1H3/p+1