2-[(3-azanyl-3-sulfanylidene-propyl)-phenyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-azanyl-3-sulfanylidene-propyl)-phenyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-(N-(3-amino-3-thioxo-propyl)anilino)ethyl-dimethyl-ammonium CAS Name: 2-(N-(3-amino-3-sulfanylidenepropyl)anilino)ethyl-dimethylammonium IUPAC Name: 2-(N-(3-amino-3-sulfanylidenepropyl)anilino)ethyl-dimethylazanium Traditional Name: 2-(N-(3-amino-3-thioxo-propyl)anilino)ethyl-dimethyl-ammonium Formula: C13H22N3S+ MolecularWeight: 252.39888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CCC(=S)N)C1=CC=CC=C1

Isomeric SMILES

C[NH+](C)CCN(CCC(=S)N)C1=CC=CC=C1

InChI

InChI=1S/C13H21N3S/c1-15(2)10-11-16(9-8-13(14)17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,14,17)/p+1