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

Systemtic Name: [(1R)-1-(4-hexyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)propyl]azanium Openeye Name: [(1R)-1-(4-hexyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propyl]ammonium CAS Name: [(1R)-1-(4-hexyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propyl]ammonium IUPAC Name: [(1R)-1-(4-hexyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propyl]azanium Traditional Name: [(1R)-1-(4-hexyl-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl)propyl]ammonium Formula: C19H31N2O2+ MolecularWeight: 319.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)C(CC)[NH3+])OC(C1=O)(C)C

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[C@@H](CC)[NH3+])OC(C1=O)(C)C

InChI

InChI=1S/C19H30N2O2/c1-5-7-8-9-12-21-16-13-14(15(20)6-2)10-11-17(16)23-19(3,4)18(21)22/h10-11,13,15H,5-9,12,20H2,1-4H3/p+1/t15-/m1/s1