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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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