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

Systemtic Name: N-cyclopropyl-2-[4-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[4-(2-keto-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H26N4O4/c25-18(21-15-7-8-15)14-22-10-12-23(13-11-22)19(26)6-3-9-24-16-4-1-2-5-17(16)28-20(24)27/h1-2,4-5,15H,3,6-14H2,(H,21,25)/p+1