3-[6-[(1R)-1-azaniumyl-2,2-dimethyl-propyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[6-[(1R)-1-azaniumyl-2,2-dimethyl-propyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[6-[(1R)-1-azaniumyl-2,2-dimethyl-propyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[6-[(1R)-1-ammonio-2,2-dimethylpropyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[6-[(1R)-1-azaniumyl-2,2-dimethylpropyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[6-[(1R)-1-ammonio-2,2-dimethyl-propyl]-3-keto-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C18H31N3O2+2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC2=C(C=C1)OCC(=O)N2CCC[NH+](C)C)[NH3+]

Isomeric SMILES

CC(C)(C)[C@H](C1=CC2=C(C=C1)OCC(=O)N2CCC[NH+](C)C)[NH3+]

InChI

InChI=1S/C18H29N3O2/c1-18(2,3)17(19)13-7-8-15-14(11-13)21(16(22)12-23-15)10-6-9-20(4)5/h7-8,11,17H,6,9-10,12,19H2,1-5H3/p+2/t17-/m0/s1