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

Systemtic Name: [(1S)-1-[(2R)-2-methyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-4-isopentyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-methyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-4-isoamyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-5-14(18)13-6-7-16-15(10-13)19(9-8-11(2)3)17(20)12(4)21-16/h6-7,10-12,14H,5,8-9,18H2,1-4H3/p+1/t12-,14+/m1/s1