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

Systemtic Name: [(1S)-1-[2,2-dimethyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-(4-isopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propyl]ammonium CAS Name: [(1S)-1-[2,2-dimethyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[2,2-dimethyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-(4-isoamyl-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl)propyl]ammonium Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-6-14(19)13-7-8-16-15(11-13)20(10-9-12(2)3)17(21)18(4,5)22-16/h7-8,11-12,14H,6,9-10,19H2,1-5H3/p+1/t14-/m0/s1