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

Systemtic Name: 3-[6-[(1S)-1-azaniumyl-2-methyl-propyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[6-[(1S)-1-azaniumyl-2-methyl-propyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[6-[(1S)-1-ammonio-2-methylpropyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[6-[(1S)-1-azaniumyl-2-methylpropyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[6-[(1S)-1-ammonio-2-methyl-propyl]-3-keto-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCC(=O)N2CCC[NH+](C)C)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CCC[NH+](C)C)[NH3+]

InChI

InChI=1S/C17H27N3O2/c1-12(2)17(18)13-6-7-15-14(10-13)20(16(21)11-22-15)9-5-8-19(3)4/h6-7,10,12,17H,5,8-9,11,18H2,1-4H3/p+2/t17-/m0/s1