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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OC(C(=O)N2CC[NH+](C)C)(C)C)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CC[NH+](C)C)(C)C)[NH3+]

InChI

InChI=1S/C18H29N3O2/c1-12(2)16(19)13-7-8-15-14(11-13)21(10-9-20(5)6)17(22)18(3,4)23-15/h7-8,11-12,16H,9-10,19H2,1-6H3/p+2/t16-/m0/s1