[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]azanium Openeye Name: [3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propyl]ammonium CAS Name: [3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]ammonium IUPAC Name: [3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]azanium Traditional Name: [3-keto-3-(4-tosylpiperazino)propyl]ammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC[NH3+]

InChI

InChI=1S/C14H21N3O3S/c1-12-2-4-13(5-3-12)21(19,20)17-10-8-16(9-11-17)14(18)6-7-15/h2-5H,6-11,15H2,1H3/p+1