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

Systemtic Name: 2-morpholin-4-ium-4-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-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(2S)-3-(benzenesulfonyl)-2-propan-2-yl-1,3-diazinan-1-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(2S)-3-(benzenesulfonyl)-2-propan-2-yl-1,3-diazinan-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(2S)-3-besyl-2-isopropyl-hexahydropyrimidin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1N(CCCN1S(=O)(=O)C2=CC=CC=C2)C(=O)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)[C@H]1N(CCCN1S(=O)(=O)C2=CC=CC=C2)C(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C19H29N3O4S/c1-16(2)19-21(18(23)15-20-11-13-26-14-12-20)9-6-10-22(19)27(24,25)17-7-4-3-5-8-17/h3-5,7-8,16,19H,6,9-15H2,1-2H3/p+1/t19-/m0/s1