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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-12(2)10-15(19)14-6-7-17-16(11-14)21(9-8-20(4)5)18(22)13(3)23-17/h6-7,11-13,15H,8-10,19H2,1-5H3/p+2/t13-,15+/m1/s1