2-[4-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C19H24ClN4O4+ MolecularWeight: 407.87126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C19H23ClN4O4/c20-13-1-4-15-16(11-13)28-19(27)24(15)6-5-18(26)23-9-7-22(8-10-23)12-17(25)21-14-2-3-14/h1,4,11,14H,2-3,5-10,12H2,(H,21,25)/p+1