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

Systemtic Name: cyclooctyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: cyclooctyl-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-(4-tosylpiperazino)ethyl]ammonium Formula: C21H34N3O3S+ MolecularWeight: 408.57796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH2+]C3CCCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH2+]C3CCCCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-18-9-11-20(12-10-18)28(26,27)24-15-13-23(14-16-24)21(25)17-22-19-7-5-3-2-4-6-8-19/h9-12,19,22H,2-8,13-17H2,1H3/p+1