(3R)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-4-(3-phenylpropyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-4-(3-phenylpropyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-(2-oxo-2-thiomorpholino-ethyl)-4-(3-phenylpropyl)piperazin-4-ium-2-one CAS Name: (3R)-3-(2-oxo-2-thiomorpholin-4-ylethyl)-4-(3-phenylpropyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-(2-oxo-2-thiomorpholin-4-ylethyl)-4-(3-phenylpropyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-keto-2-thiomorpholino-ethyl)-4-(3-phenylpropyl)piperazin-4-ium-2-one Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCSCC2)CCCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCSCC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H27N3O2S/c23-18(22-11-13-25-14-12-22)15-17-19(24)20-8-10-21(17)9-4-7-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,20,24)/p+1/t17-/m1/s1