[4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butyl]azanium

Systemtic Name: [4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butyl]azanium Openeye Name: [4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butyl]ammonium CAS Name: [4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxobutyl]ammonium IUPAC Name: [4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutyl]azanium Traditional Name: [4-(4-besylpiperazino)-4-keto-butyl]ammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC[NH3+])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)CCC[NH3+])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H21N3O3S/c15-8-4-7-14(18)16-9-11-17(12-10-16)21(19,20)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,15H2/p+1