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

Systemtic Name: 2-[6-[(R)-azaniumyl(cyclopropyl)methyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[6-[(R)-azaniumyl(cyclopropyl)methyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[6-[(R)-ammonio(cyclopropyl)methyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[6-[(R)-azaniumyl(cyclopropyl)methyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[6-[(R)-ammonio(cyclopropyl)methyl]-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C18H29N3O2+2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(C3CC3)[NH3+])CC[NH+](C)C)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)[C@@H](C3CC3)[NH3+])CC[NH+](C)C)C

InChI

InChI=1S/C18H27N3O2/c1-18(2)17(22)21(10-9-20(3)4)14-11-13(7-8-15(14)23-18)16(19)12-5-6-12/h7-8,11-12,16H,5-6,9-10,19H2,1-4H3/p+2/t16-/m1/s1