pentyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium

Systemtic Name: pentyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Openeye Name: pentyl-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium CAS Name: pentyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]ammonium IUPAC Name: pentyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Traditional Name: amyl-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium Formula: C13H19N2OS+ MolecularWeight: 251.36776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]CN1C2=CC=CC=C2OC1=S

Isomeric SMILES

CCCCC[NH2+]CN1C2=CC=CC=C2OC1=S

InChI

InChI=1S/C13H18N2OS/c1-2-3-6-9-14-10-15-11-7-4-5-8-12(11)16-13(15)17/h4-5,7-8,14H,2-3,6,9-10H2,1H3/p+1