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

Systemtic Name: 3-[(2R)-6-[(1S)-1-azaniumylpropyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-6-[(1S)-1-azaniumylpropyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-6-[(1S)-1-ammoniopropyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-6-[(1S)-1-azaniumylpropyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-6-[(1S)-1-ammoniopropyl]-2-ethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2/c1-5-14(19)13-8-9-17-15(12-13)21(11-7-10-20(3)4)18(22)16(6-2)23-17/h8-9,12,14,16H,5-7,10-11,19H2,1-4H3/p+2/t14-,16+/m0/s1