3-(2,6-ditert-butylpyran-4-ylidene)-1-methyl-indol-1-ium

Systemtic Name: 3-(2,6-ditert-butylpyran-4-ylidene)-1-methyl-indol-1-ium Openeye Name: 3-(2,6-ditert-butylpyran-4-ylidene)-1-methyl-indol-1-ium CAS Name: 3-(2,6-ditert-butyl-4-pyranylidene)-1-methylindol-1-ium IUPAC Name: 3-(2,6-ditert-butylpyran-4-ylidene)-1-methylindol-1-ium Traditional Name: 3-(2,6-ditert-butylpyran-4-ylidene)-1-methyl-indol-1-ium Formula: C22H28NO+ MolecularWeight: 322.46382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=[N+](C3=CC=CC=C32)C)C=C(O1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=[N+](C3=CC=CC=C32)C)C=C(O1)C(C)(C)C

InChI

InChI=1S/C22H28NO/c1-21(2,3)19-12-15(13-20(24-19)22(4,5)6)17-14-23(7)18-11-9-8-10-16(17)18/h8-14H,1-7H3/q+1