ethyl 2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-phenyl-indole-3-carboxylate CAS Name: 5-hydroxy-2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-phenylindole-3-carboxylate Traditional Name: 5-hydroxy-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C23H29N3O3+2 MolecularWeight: 395.49466

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+]4CC[NH+](CC4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-3-29-23(28)22-19-15-18(27)9-10-20(19)26(17-7-5-4-6-8-17)21(22)16-25-13-11-24(2)12-14-25/h4-10,15,27H,3,11-14,16H2,1-2H3/p+2