[2-[(2R)-2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [2-[(2R)-2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(2R)-2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-[(2R)-2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(2R)-2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-ethylazanium Traditional Name: benzyl-[2-[(2R)-2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-keto-ethyl]-ethyl-ammonium Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CC(OC3=CC=CC=C32)C(=O)N

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)N2C[C@@H](OC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C20H23N3O3/c1-2-22(12-15-8-4-3-5-9-15)14-19(24)23-13-18(20(21)25)26-17-11-7-6-10-16(17)23/h3-11,18H,2,12-14H2,1H3,(H2,21,25)/p+1/t18-/m1/s1