methyl-[2-oxidanylidene-2-(propylamino)ethyl]-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-(propylamino)ethyl]-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Openeye Name: methyl-[2-oxo-2-(propylamino)ethyl]-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium CAS Name: methyl-[2-oxo-2-(propylamino)ethyl]-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]ammonium IUPAC Name: methyl-[2-oxo-2-(propylamino)ethyl]-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Traditional Name: [2-keto-2-(propylamino)ethyl]-methyl-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium Formula: C14H20N3OS2+ MolecularWeight: 310.4581

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CN1C2=CC=CC=C2SC1=S

Isomeric SMILES

CCCNC(=O)C[NH+](C)CN1C2=CC=CC=C2SC1=S

InChI

InChI=1S/C14H19N3OS2/c1-3-8-15-13(18)9-16(2)10-17-11-6-4-5-7-12(11)20-14(17)19/h4-7H,3,8-10H2,1-2H3,(H,15,18)/p+1