(E)-[2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium

Systemtic Name: (E)-[2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium Openeye Name: (E)-[2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]-(1-carboxy-2-methyl-propyl)ammonium CAS Name: (E)-[2-(4-butoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]-(1-hydroxy-3-methyl-1-oxobutan-2-yl)ammonium IUPAC Name: (E)-[2-(4-butoxyphenyl)-6-methylchromen-4-ylidene]-(1-hydroxy-3-methyl-1-oxobutan-2-yl)azanium Traditional Name: (E)-[2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]-(1-carboxy-2-methyl-propyl)ammonium Formula: C25H30NO4+ MolecularWeight: 408.51

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC(=[NH+]C(C(C)C)C(=O)O)C3=C(O2)C=CC(=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C/C(=[NH+]\C(C(C)C)C(=O)O)/C3=C(O2)C=CC(=C3)C

InChI

InChI=1S/C25H29NO4/c1-5-6-13-29-19-10-8-18(9-11-19)23-15-21(26-24(16(2)3)25(27)28)20-14-17(4)7-12-22(20)30-23/h7-12,14-16,24H,5-6,13H2,1-4H3,(H,27,28)/p+1/b26-21+