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

Systemtic Name: 3-[(2R)-6-[(1S)-1-azaniumylbutyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-6-[(1S)-1-azaniumylbutyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-6-[(1S)-1-ammoniobutyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-6-[(1S)-1-azaniumylbutyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-6-[(1S)-1-ammoniobutyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-5-7-15(19)14-8-9-17-16(12-14)21(11-6-10-20(3)4)18(22)13(2)23-17/h8-9,12-13,15H,5-7,10-11,19H2,1-4H3/p+2/t13-,15+/m1/s1