3-(2-azanylethylsulfanyl)-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione hydrochloride

Systemtic Name: 3-(2-azanylethylsulfanyl)-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione hydrochloride Openeye Name: 3-(2-aminoethylsulfanyl)-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione hydrochloride CAS Name: 3-(2-aminoethylthio)-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione hydrochloride IUPAC Name: 3-(2-aminoethylsulfanyl)-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione hydrochloride Traditional Name: 3-(2-aminoethylthio)-1-(4-hexoxyphenyl)pyrrolidine-2,5-quinone hydrochloride Formula: C18H27ClN2O3S MolecularWeight: 386.93658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCN.Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCN.Cl

InChI

InChI=1S/C18H26N2O3S.ClH/c1-2-3-4-5-11-23-15-8-6-14(7-9-15)20-17(21)13-16(18(20)22)24-12-10-19;/h6-9,16H,2-5,10-13,19H2,1H3;1H