(2S,3R)-1-(4-methylphenyl)-2,3-di(morpholin-4-ium-4-yl)-3-thiophen-2-yl-propan-1-one

Systemtic Name: (2S,3R)-1-(4-methylphenyl)-2,3-di(morpholin-4-ium-4-yl)-3-thiophen-2-yl-propan-1-one Openeye Name: (2S,3R)-2,3-di(morpholin-4-ium-4-yl)-1-(p-tolyl)-3-(2-thienyl)propan-1-one CAS Name: (2S,3R)-1-(4-methylphenyl)-2,3-bis(4-morpholin-4-iumyl)-3-thiophen-2-yl-1-propanone IUPAC Name: (2S,3R)-1-(4-methylphenyl)-2,3-di(morpholin-4-ium-4-yl)-3-thiophen-2-ylpropan-1-one Traditional Name: (2S,3R)-2,3-di(morpholin-4-ium-4-yl)-1-(p-tolyl)-3-(2-thienyl)propan-1-one Formula: C22H30N2O3S+2 MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C(C2=CC=CS2)[NH+]3CCOCC3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H]([C@H](C2=CC=CS2)[NH+]3CCOCC3)[NH+]4CCOCC4

InChI

InChI=1S/C22H28N2O3S/c1-17-4-6-18(7-5-17)22(25)21(24-10-14-27-15-11-24)20(19-3-2-16-28-19)23-8-12-26-13-9-23/h2-7,16,20-21H,8-15H2,1H3/p+2/t20-,21-/m0/s1