4,4-dimethyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-4-ium-2-carboxylic acid

Systemtic Name: 4,4-dimethyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-4-ium-2-carboxylic acid Openeye Name: 7-benzyloxy-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-4-ium-2-carboxylic acid CAS Name: 4,4-dimethyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-4-ium-2-carboxylic acid IUPAC Name: 4,4-dimethyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-4-ium-2-carboxylic acid Traditional Name: 7-benzoxy-4,4-dimethyl-2,3-dihydro-1H-cyclopent[b]indol-4-ium-2-carboxylic acid Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(CC(C2)C(=O)O)C3=C1C=CC(=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

C[N+]1(C2=C(CC(C2)C(=O)O)C3=C1C=CC(=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C21H21NO3/c1-22(2)19-9-8-16(25-13-14-6-4-3-5-7-14)12-18(19)17-10-15(21(23)24)11-20(17)22/h3-9,12,15H,10-11,13H2,1-2H3/p+1