3-[2-azanyl-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoyl]-1,3-thiazolidin-3-ium-3-carbonitrile hydrochloride

Systemtic Name: 3-[2-azanyl-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoyl]-1,3-thiazolidin-3-ium-3-carbonitrile hydrochloride Openeye Name: 3-[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoyl]thiazolidin-3-ium-3-carbonitrile hydrochloride CAS Name: 3-[2-amino-3-[(4-methoxyphenyl)methylthio]-3-methyl-1-oxobutyl]-3-thiazolidin-3-iumcarbonitrile hydrochloride IUPAC Name: 3-[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoyl]-1,3-thiazolidin-3-ium-3-carbonitrile hydrochloride Traditional Name: 3-[2-amino-3-methyl-3-(p-anisylthio)butanoyl]thiazolidin-3-ium-3-carbonitrile hydrochloride Formula: C17H25ClN3O2S2+ MolecularWeight: 402.9823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)[N+]1(CCSC1)C#N)N)SCC2=CC=C(C=C2)OC.Cl

Isomeric SMILES

CC(C)(C(C(=O)[N+]1(CCSC1)C#N)N)SCC2=CC=C(C=C2)OC.Cl

InChI

InChI=1S/C17H24N3O2S2.ClH/c1-17(2,24-10-13-4-6-14(22-3)7-5-13)15(19)16(21)20(11-18)8-9-23-12-20;/h4-7,15H,8-10,12,19H2,1-3H3;1H/q+1;