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

Systemtic Name: 3-[6-[(1S)-1-azaniumylbutyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[6-[(1S)-1-azaniumylbutyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[6-[(1S)-1-ammoniobutyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[6-[(1S)-1-azaniumylbutyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[6-[(1S)-1-ammoniobutyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2/c1-4-6-14(18)13-7-8-16-15(11-13)20(17(21)12-22-16)10-5-9-19(2)3/h7-8,11,14H,4-6,9-10,12,18H2,1-3H3/p+2/t14-/m0/s1