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

Systemtic Name: 3-[(2R)-6-[(1S)-1-azaniumyl-2-methyl-propyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-6-[(1S)-1-azaniumyl-2-methyl-propyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-6-[(1S)-1-ammonio-2-methylpropyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-6-[(1S)-1-azaniumyl-2-methylpropyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-6-[(1S)-1-ammonio-2-methyl-propyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]propyl-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(C(C)C)[NH3+])CCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-12(2)17(19)14-7-8-16-15(11-14)21(10-6-9-20(4)5)18(22)13(3)23-16/h7-8,11-13,17H,6,9-10,19H2,1-5H3/p+2/t13-,17+/m1/s1