(2-chloranyl-3-methoxy-3-oxidanylidene-propyl)-[1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]azanium

Systemtic Name: (2-chloranyl-3-methoxy-3-oxidanylidene-propyl)-[1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]azanium Openeye Name: [1-(benzylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]-(2-chloro-3-methoxy-3-oxo-propyl)ammonium CAS Name: (2-chloro-3-methoxy-3-oxopropyl)-[1-ethoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]ammonium IUPAC Name: (3-benzylsulfanyl-1-ethoxy-1-oxopropan-2-yl)-(2-chloro-3-methoxy-3-oxopropyl)azanium Traditional Name: [1-[(benzylthio)methyl]-2-ethoxy-2-keto-ethyl]-(2-chloro-3-keto-3-methoxy-propyl)ammonium Formula: C16H23ClNO4S+ MolecularWeight: 360.87612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)[NH2+]CC(C(=O)OC)Cl

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)[NH2+]CC(C(=O)OC)Cl

InChI

InChI=1S/C16H22ClNO4S/c1-3-22-16(20)14(18-9-13(17)15(19)21-2)11-23-10-12-7-5-4-6-8-12/h4-8,13-14,18H,3,9-11H2,1-2H3/p+1