(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-morpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2R)-1-morpholin-4-ium-4-yl-3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2R)-1-morpholin-4-ium-4-yl-3-(4-tosylpiperazin-1-ium-1-yl)propan-2-ol Formula: C18H31N3O4S+2 MolecularWeight: 385.52144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(C[NH+]3CCOCC3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C18H29N3O4S/c1-16-2-4-18(5-3-16)26(23,24)21-8-6-19(7-9-21)14-17(22)15-20-10-12-25-13-11-20/h2-5,17,22H,6-15H2,1H3/p+2/t17-/m1/s1