ethyl 5-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]-1-ethyl-indol-1-ium-1-carboxylate

Systemtic Name: ethyl 5-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]-1-ethyl-indol-1-ium-1-carboxylate Openeye Name: ethyl 5-[(4-benzyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]-1-ethyl-indol-1-ium-1-carboxylate CAS Name: 5-[[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-(3-hydroxyphenyl)methyl]-1-ethyl-1-indol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-benzyl-2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-1-ethylindol-1-ium-1-carboxylate Traditional Name: 5-[(4-benzyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]-1-ethyl-indol-1-ium-1-carboxylic acid ethyl ester Formula: C33H40N3O3+ MolecularWeight: 526.689

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=CC2=C1C=CC(=C2)C(C3=CC(=CC=C3)O)N4CC(N(CC4C)CC5=CC=CC=C5)C)C(=O)OCC

Isomeric SMILES

CC[N+]1(C=CC2=C1C=CC(=C2)C(C3=CC(=CC=C3)O)N4CC(N(CC4C)CC5=CC=CC=C5)C)C(=O)OCC

InChI

InChI=1S/C33H39N3O3/c1-5-36(33(38)39-6-2)18-17-27-19-29(15-16-31(27)36)32(28-13-10-14-30(37)20-28)35-22-24(3)34(21-25(35)4)23-26-11-8-7-9-12-26/h7-20,24-25,32H,5-6,21-23H2,1-4H3/p+1