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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)COC2=C1C=C(C=C2)C(C3CC3)[NH3+]

Isomeric SMILES

C[NH+](C)CCCN1C(=O)COC2=C1C=C(C=C2)[C@@H](C3CC3)[NH3+]

InChI

InChI=1S/C17H25N3O2/c1-19(2)8-3-9-20-14-10-13(17(18)12-4-5-12)6-7-15(14)22-11-16(20)21/h6-7,10,12,17H,3-5,8-9,11,18H2,1-2H3/p+2/t17-/m1/s1