2-(1H-benzimidazol-2-yl)ethyl-[(3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl]azanium

Systemtic Name: 2-(1H-benzimidazol-2-yl)ethyl-[(3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl]azanium Openeye Name: 2-(1H-benzimidazol-2-yl)ethyl-[(3-ethoxycarbonylisoxazol-5-yl)methyl]ammonium CAS Name: 2-(1H-benzimidazol-2-yl)ethyl-[(3-ethoxycarbonyl-5-isoxazolyl)methyl]ammonium IUPAC Name: 2-(1H-benzimidazol-2-yl)ethyl-[(3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl]azanium Traditional Name: 2-(1H-benzimidazol-2-yl)ethyl-[(3-carbethoxyisoxazol-5-yl)methyl]ammonium Formula: C16H19N4O3+ MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)C[NH2+]CCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)C[NH2+]CCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H18N4O3/c1-2-22-16(21)14-9-11(23-20-14)10-17-8-7-15-18-12-5-3-4-6-13(12)19-15/h3-6,9,17H,2,7-8,10H2,1H3,(H,18,19)/p+1