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

Systemtic Name: 2-[(2S)-6-[(S)-azaniumyl(cyclopropyl)methyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-6-[(S)-azaniumyl(cyclopropyl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-6-[(S)-ammonio(cyclopropyl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-6-[(S)-azaniumyl(cyclopropyl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-6-[(S)-ammonio(cyclopropyl)methyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C17H27N3O2+2 MolecularWeight: 305.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C3CC3)[NH3+])CC[NH+](C)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C3CC3)[NH3+])CC[NH+](C)C

InChI

InChI=1S/C17H25N3O2/c1-11-17(21)20(9-8-19(2)3)14-10-13(6-7-15(14)22-11)16(18)12-4-5-12/h6-7,10-12,16H,4-5,8-9,18H2,1-3H3/p+2/t11-,16-/m0/s1