3-[(2E)-6-azanyl-2-(furan-2-ylmethylidene)-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2E)-6-azanyl-2-(furan-2-ylmethylidene)-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2E)-6-amino-2-(2-furylmethylene)-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2E)-6-amino-2-(2-furanylmethylidene)-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2E)-6-amino-2-(furan-2-ylmethylidene)-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2E)-6-amino-2-(2-furfurylidene)-3-keto-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=C(C=CC(=C2)N)OC(=CC3=CC=CO3)C1=O

Isomeric SMILES

C[NH+](C)CCCN1C2=C(C=CC(=C2)N)O/C(=C/C3=CC=CO3)/C1=O

InChI

InChI=1S/C18H21N3O3/c1-20(2)8-4-9-21-15-11-13(19)6-7-16(15)24-17(18(21)22)12-14-5-3-10-23-14/h3,5-7,10-12H,4,8-9,19H2,1-2H3/p+1/b17-12+