3-[(2-chlorophenyl)-(1,1-diethylpyridin-1-ium-4-ylidene)methyl]-1-methyl-2-phenyl-indole ethanoate

Systemtic Name: 3-[(2-chlorophenyl)-(1,1-diethylpyridin-1-ium-4-ylidene)methyl]-1-methyl-2-phenyl-indole ethanoate Openeye Name: 3-[(2-chlorophenyl)-(1,1-diethylpyridin-1-ium-4-ylidene)methyl]-1-methyl-2-phenyl-indole acetate CAS Name: 3-[(2-chlorophenyl)-(1,1-diethyl-4-pyridin-1-iumylidene)methyl]-1-methyl-2-phenylindole acetate IUPAC Name: 3-[(2-chlorophenyl)-(1,1-diethylpyridin-1-ium-4-ylidene)methyl]-1-methyl-2-phenylindole acetate Traditional Name: 3-[(2-chlorophenyl)-(1,1-diethylpyridin-1-ium-4-ylidene)methyl]-1-methyl-2-phenyl-indole acetate Formula: C33H33ClN2O2 MolecularWeight: 525.08032

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=CC(=C(C2=CC=CC=C2Cl)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C=C1)CC.CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C=CC(=C(C2=CC=CC=C2Cl)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C=C1)CC.CC(=O)[O-]

InChI

InChI=1S/C31H30ClN2.C2H4O2/c1-4-34(5-2)21-19-23(20-22-34)29(25-15-9-11-17-27(25)32)30-26-16-10-12-18-28(26)33(3)31(30)24-13-7-6-8-14-24;1-2(3)4/h6-22H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1