2-butyl-6-[(2,6-diphenylpyran-4-ylidene)methyl]-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium

Systemtic Name: 2-butyl-6-[(2,6-diphenylpyran-4-ylidene)methyl]-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium Openeye Name: 2-butyl-6-[(2,6-diphenylpyran-4-ylidene)methyl]-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium CAS Name: 2-butyl-6-[(2,6-diphenyl-4-pyranylidene)methyl]-1,3-dimethylcyclohepta[c]pyrrol-2-ium IUPAC Name: 2-butyl-6-[(2,6-diphenylpyran-4-ylidene)methyl]-1,3-dimethylcyclohepta[c]pyrrol-2-ium Traditional Name: 2-butyl-6-[(2,6-diphenylpyran-4-ylidene)methyl]-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium Formula: C33H32NO+ MolecularWeight: 458.61328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C2=CC=C(C=CC2=C1C)C=C3C=C(OC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCCC[N+]1=C(C2=CC=C(C=CC2=C1C)C=C3C=C(OC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C33H32NO/c1-4-5-20-34-24(2)30-18-16-26(17-19-31(30)25(34)3)21-27-22-32(28-12-8-6-9-13-28)35-33(23-27)29-14-10-7-11-15-29/h6-19,21-23H,4-5,20H2,1-3H3/q+1