6-methyl-2'-phenyl-spiro[2,3-dihydrochromene-4,5'-4H-1,2,4-triazol-2-ium]-3'-one

Systemtic Name: 6-methyl-2'-phenyl-spiro[2,3-dihydrochromene-4,5'-4H-1,2,4-triazol-2-ium]-3'-one Openeye Name: 6'-methyl-2-phenyl-spiro[4H-1,2,4-triazol-2-ium-5,4'-chromane]-3-one CAS Name: 6-methyl-2'-phenyl-3'-spiro[3,4-dihydro-2H-1-benzopyran-4,5'-4H-1,2,4-triazol-2-ium]one IUPAC Name: 6-methyl-2'-phenylspiro[2,3-dihydrochromene-4,5'-4H-1,2,4-triazol-2-ium]-3'-one Traditional Name: 6'-methyl-2-phenyl-spiro[4H-1,2,4-triazol-2-ium-5,4'-chroman]-3-one Formula: C17H16N3O2+ MolecularWeight: 294.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCC23NC(=O)[N+](=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OCCC23NC(=O)[N+](=N3)C4=CC=CC=C4

InChI

InChI=1S/C17H15N3O2/c1-12-7-8-15-14(11-12)17(9-10-22-15)18-16(21)20(19-17)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/p+1