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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(CC)[NH3+])CCC(C)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](CC)[NH3+])CCC(C)C

InChI

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