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

Systemtic Name: 3-methylbutyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: isopentyl-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: 3-methylbutyl-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: 3-methylbutyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: isoamyl-[2-keto-2-(4-tosylpiperazino)ethyl]ammonium Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-15(2)8-9-19-14-18(22)20-10-12-21(13-11-20)25(23,24)17-6-4-16(3)5-7-17/h4-7,15,19H,8-14H2,1-3H3/p+1