(5-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (5-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(5-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-methylazanium Traditional Name: benzyl-[(5-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]-methyl-ammonium Formula: C16H16ClN2OS+ MolecularWeight: 319.82904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C3=C(C=CC(=C3)Cl)OC2=S

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C3=C(C=CC(=C3)Cl)OC2=S

InChI

InChI=1S/C16H15ClN2OS/c1-18(10-12-5-3-2-4-6-12)11-19-14-9-13(17)7-8-15(14)20-16(19)21/h2-9H,10-11H2,1H3/p+1