cyclooctyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-[4-(4-methoxyphenyl)sulfonylpiperazino]ethyl]ammonium Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH2+]C3CCCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH2+]C3CCCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-28-19-9-11-20(12-10-19)29(26,27)24-15-13-23(14-16-24)21(25)17-22-18-7-5-3-2-4-6-8-18/h9-12,18,22H,2-8,13-17H2,1H3/p+1