(3R)-4-[(4-ethoxyphenyl)methyl]-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(4-ethoxybenzyl)-3-(2-keto-2-thiomorpholino-ethyl)piperazin-4-ium-2-one Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCSCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCSCC3

InChI

InChI=1S/C19H27N3O3S/c1-2-25-16-5-3-15(4-6-16)14-22-8-7-20-19(24)17(22)13-18(23)21-9-11-26-12-10-21/h3-6,17H,2,7-14H2,1H3,(H,20,24)/p+1/t17-/m1/s1