ethyl 5-oxidanyl-1-phenyl-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]indole-3-carboxylate

Systemtic Name: ethyl 5-oxidanyl-1-phenyl-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]indole-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-1-phenyl-indole-3-carboxylate CAS Name: 5-hydroxy-1-phenyl-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-1-phenylindole-3-carboxylate Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C29H32N3O3+ MolecularWeight: 470.58268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)C[NH+]4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)C[NH+]4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c1-2-35-29(34)28-25-19-24(33)13-14-26(25)32(23-11-7-4-8-12-23)27(28)21-31-17-15-30(16-18-31)20-22-9-5-3-6-10-22/h3-14,19,33H,2,15-18,20-21H2,1H3/p+1