2-(furan-2-yl)-7-methoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2-(furan-2-yl)-7-methoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2-(2-furyl)-7-methoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(2-furanyl)-7-methoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(furan-2-yl)-7-methoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 2-(2-furyl)-7-methoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C19H16N3O2+ MolecularWeight: 318.34924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C19H15N3O2/c1-23-14-9-10-16-15(12-14)18(13-6-3-2-4-7-13)21-22-19(20-16)17-8-5-11-24-17/h2-12,21H,1H3/p+1