2-(4-methylpiperazin-1-ium-1-yl)-1-[(2S)-3-(phenylsulfonyl)-2-propan-2-yl-1,3-diazinan-1-yl]ethanone

Systemtic Name: 2-(4-methylpiperazin-1-ium-1-yl)-1-[(2S)-3-(phenylsulfonyl)-2-propan-2-yl-1,3-diazinan-1-yl]ethanone Openeye Name: 1-[(2S)-3-(benzenesulfonyl)-2-isopropyl-hexahydropyrimidin-1-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(2S)-3-(benzenesulfonyl)-2-propan-2-yl-1,3-diazinan-1-yl]-2-(4-methyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(2S)-3-(benzenesulfonyl)-2-propan-2-yl-1,3-diazinan-1-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(2S)-3-besyl-2-isopropyl-hexahydropyrimidin-1-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Formula: C20H33N4O3S+ MolecularWeight: 409.56602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1N(CCCN1S(=O)(=O)C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

CC(C)[C@H]1N(CCCN1S(=O)(=O)C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C

InChI

InChI=1S/C20H32N4O3S/c1-17(2)20-23(19(25)16-22-14-12-21(3)13-15-22)10-7-11-24(20)28(26,27)18-8-5-4-6-9-18/h4-6,8-9,17,20H,7,10-16H2,1-3H3/p+1/t20-/m0/s1