methyl-(phenylmethyl)-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]azanium Openeye Name: benzyl-methyl-[3-(2-thioxo-1H-imidazol-3-yl)propyl]ammonium CAS Name: methyl-(phenylmethyl)-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]ammonium IUPAC Name: benzyl-methyl-[3-(2-sulfanylidene-1H-imidazol-3-yl)propyl]azanium Traditional Name: benzyl-methyl-[3-(2-thioxo-4-imidazolin-1-yl)propyl]ammonium Formula: C14H20N3S+ MolecularWeight: 262.3937

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCN1C=CNC1=S)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCN1C=CNC1=S)CC2=CC=CC=C2

InChI

InChI=1S/C14H19N3S/c1-16(12-13-6-3-2-4-7-13)9-5-10-17-11-8-15-14(17)18/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,15,18)/p+1