(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 1,1,3-trimethylbenzo[e]indol-3-ium-2-carboxylate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 1,1,3-trimethylbenzo[e]indol-3-ium-2-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 1,1,3-trimethylbenzo[e]indol-3-ium-2-carboxylate CAS Name: 1,1,3-trimethyl-2-benzo[e]indol-3-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 1,1,3-trimethylbenzo[e]indol-3-ium-2-carboxylate Traditional Name: 1,1,3-trimethylbenz[e]indol-3-ium-2-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C32H30NO4+ MolecularWeight: 492.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=[N+](C3=C(C2(C)C)C4=CC=CC=C4C=C3)C)C)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=[N+](C3=C(C2(C)C)C4=CC=CC=C4C=C3)C)C)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H30NO4/c1-20-17-24(30(34)36-19-22-11-7-6-8-12-22)18-21(2)28(20)37-31(35)29-32(3,4)27-25-14-10-9-13-23(25)15-16-26(27)33(29)5/h6-18H,19H2,1-5H3/q+1