2-[3-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]ethylazanium

Systemtic Name: 2-[3-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]ethylazanium Openeye Name: 2-[3-[2-(3,4-dimethylanilino)-2-oxo-ethyl]sulfanylpropanoylamino]ethylammonium CAS Name: 2-[[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoylamino]ethylazanium Traditional Name: 2-[3-[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]propanoylamino]ethylammonium Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCCC(=O)NCC[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCCC(=O)NCC[NH3+])C

InChI

InChI=1S/C15H23N3O2S/c1-11-3-4-13(9-12(11)2)18-15(20)10-21-8-5-14(19)17-7-6-16/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,19)(H,18,20)/p+1