N-[2-(4-methyl-7-oxidanylidene-1,2-benzoxazin-2-ium-2-yl)ethyl]-2-[(phenylmethyl)amino]ethanamide

Systemtic Name: N-[2-(4-methyl-7-oxidanylidene-1,2-benzoxazin-2-ium-2-yl)ethyl]-2-[(phenylmethyl)amino]ethanamide Openeye Name: 2-(benzylamino)-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-2-ium-2-yl)ethyl]acetamide CAS Name: N-[2-(4-methyl-7-oxo-1,2-benzoxazin-2-ium-2-yl)ethyl]-2-[(phenylmethyl)amino]acetamide IUPAC Name: 2-(benzylamino)-N-[2-(4-methyl-7-oxo-1,2-benzoxazin-2-ium-2-yl)ethyl]acetamide Traditional Name: 2-(benzylamino)-N-[2-(7-keto-4-methyl-1,2-benzoxazin-2-ium-2-yl)ethyl]acetamide Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)C=C2O[N+](=C1)CCNC(=O)CNCC3=CC=CC=C3

Isomeric SMILES

CC1=C2C=CC(=O)C=C2O[N+](=C1)CCNC(=O)CNCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3/c1-15-14-23(26-19-11-17(24)7-8-18(15)19)10-9-22-20(25)13-21-12-16-5-3-2-4-6-16/h2-8,11,14,21H,9-10,12-13H2,1H3/p+1