2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]aniline

Systemtic Name: 2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]aniline Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]aniline CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]aniline IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]aniline Traditional Name: [2-[(4-besylpiperazin-1-ium-1-yl)methyl]phenyl]amine Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2S/c18-17-9-5-4-6-15(17)14-19-10-12-20(13-11-19)23(21,22)16-7-2-1-3-8-16/h1-9H,10-14,18H2/p+1