cyclohexyl-methyl-[[2-[2-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoylamino]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[2-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoylamino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-1-oxoethyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]phenyl]methyl]azanium Traditional Name: cyclohexyl-[2-[[2-[(2R)-3-keto-2-methyl-1,4-benzoxazin-4-yl]acetyl]amino]benzyl]-methyl-ammonium Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC=C3C[NH+](C)C4CCCCC4

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC=C3C[NH+](C)C4CCCCC4

InChI

InChI=1S/C25H31N3O3/c1-18-25(30)28(22-14-8-9-15-23(22)31-18)17-24(29)26-21-13-7-6-10-19(21)16-27(2)20-11-4-3-5-12-20/h6-10,13-15,18,20H,3-5,11-12,16-17H2,1-2H3,(H,26,29)/p+1/t18-/m1/s1