(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(4-besylpiperazino)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H29N3O3S/c1-16-7-6-10-21(15-16)17(2)19(23)20-11-13-22(14-12-20)26(24,25)18-8-4-3-5-9-18/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3/p+1/t16-,17-/m0/s1