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

Systemtic Name: 3-ethoxypropyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: 3-ethoxypropyl-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: 3-ethoxypropyl-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: 3-ethoxypropyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: 3-ethoxypropyl-[2-keto-2-(4-tosylpiperazino)ethyl]ammonium Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOCCC[NH2+]CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H29N3O4S/c1-3-25-14-4-9-19-15-18(22)20-10-12-21(13-11-20)26(23,24)17-7-5-16(2)6-8-17/h5-8,19H,3-4,9-15H2,1-2H3/p+1