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

Systemtic Name: 3-[6-[(1S)-1-azaniumyl-3-methyl-butyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[6-[(1S)-1-azaniumyl-3-methyl-butyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[6-[(1S)-1-ammonio-3-methylbutyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[6-[(1S)-1-azaniumyl-3-methylbutyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[6-[(1S)-1-ammonio-3-methyl-butyl]-3-keto-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C18H31N3O2+2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-13(2)10-15(19)14-6-7-17-16(11-14)21(18(22)12-23-17)9-5-8-20(3)4/h6-7,11,13,15H,5,8-10,12,19H2,1-4H3/p+2/t15-/m0/s1