N-[2-(3-oxidanylidene-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]-2-[(phenylmethyl)amino]ethanamide

Systemtic Name: N-[2-(3-oxidanylidene-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]-2-[(phenylmethyl)amino]ethanamide Openeye Name: 2-(benzylamino)-N-[2-(3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]acetamide CAS Name: N-[2-(3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]-2-[(phenylmethyl)amino]acetamide IUPAC Name: 2-(benzylamino)-N-[2-(3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]acetamide Traditional Name: 2-(benzylamino)-N-[2-(3-keto-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]acetamide Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(=O)NCCC2[N+](=O)C3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C=C1)CNCC(=O)NCCC2[N+](=O)C3=CC=CC=C3O2

InChI

InChI=1S/C18H19N3O3/c22-17(13-19-12-14-6-2-1-3-7-14)20-11-10-18-21(23)15-8-4-5-9-16(15)24-18/h1-9,18-19H,10-13H2/p+1