(3-azanyl-3-sulfanylidene-propyl)-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium

Systemtic Name: (3-azanyl-3-sulfanylidene-propyl)-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium Openeye Name: (3-amino-3-thioxo-propyl)-[2-(benzylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-amino-3-sulfanylidenepropyl)-methyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]ammonium IUPAC Name: (3-amino-3-sulfanylidenepropyl)-[2-(benzylamino)-2-oxoethyl]-methylazanium Traditional Name: (3-amino-3-thioxo-propyl)-[2-(benzylamino)-2-keto-ethyl]-methyl-ammonium Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=S)N)CC(=O)NCC1=CC=CC=C1

Isomeric SMILES

C[NH+](CCC(=S)N)CC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C13H19N3OS/c1-16(8-7-12(14)18)10-13(17)15-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,14,18)(H,15,17)/p+1