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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-12-18(22)21(10-4-9-20(2)3)15-11-14(7-8-16(15)23-12)17(19)13-5-6-13/h7-8,11-13,17H,4-6,9-10,19H2,1-3H3/p+2/t12-,17-/m1/s1