2-imidazol-1-yl-2-propyl-3H-1,2-benzoxazol-2-ium hydrochloride

Systemtic Name: 2-imidazol-1-yl-2-propyl-3H-1,2-benzoxazol-2-ium hydrochloride Openeye Name: 2-imidazol-1-yl-2-propyl-3H-1,2-benzoxazol-2-ium hydrochloride CAS Name: 2-(1-imidazolyl)-2-propyl-3H-1,2-benzoxazol-2-ium hydrochloride IUPAC Name: 2-imidazol-1-yl-2-propyl-3H-1,2-benzoxazol-2-ium hydrochloride Traditional Name: 2-imidazol-1-yl-2-propyl-3H-indoxazen-2-ium hydrochloride Formula: C13H17ClN3O+ MolecularWeight: 266.74658

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC2=CC=CC=C2O1)N3C=CN=C3.Cl

Isomeric SMILES

CCC[N+]1(CC2=CC=CC=C2O1)N3C=CN=C3.Cl

InChI

InChI=1S/C13H16N3O.ClH/c1-2-9-16(15-8-7-14-11-15)10-12-5-3-4-6-13(12)17-16;/h3-8,11H,2,9-10H2,1H3;1H/q+1;