(4-methylcyclohexyl)-[(1R)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]azanium

Systemtic Name: (4-methylcyclohexyl)-[(1R)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]azanium Openeye Name: (4-methylcyclohexyl)-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium CAS Name: (4-methylcyclohexyl)-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium IUPAC Name: (4-methylcyclohexyl)-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]azanium Traditional Name: [(1R)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-(4-methylcyclohexyl)ammonium Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)[NH2+]C(C)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1CCC(CC1)[NH2+][C@H](C)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C17H24N2O2/c1-11-3-6-14(7-4-11)18-12(2)13-5-8-16-15(9-13)19-17(20)10-21-16/h5,8-9,11-12,14,18H,3-4,6-7,10H2,1-2H3,(H,19,20)/p+1/t11?,12-,14?/m1/s1