ethyl 6-bromanyl-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-5-methoxy-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-5-methoxy-1-methyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-5-methoxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-5-methoxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-5-methoxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H30BrN3O4+2 MolecularWeight: 456.3739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)C[NH+]3CC[NH+](CC3)CCO

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)C[NH+]3CC[NH+](CC3)CCO

InChI

InChI=1S/C20H28BrN3O4/c1-4-28-20(26)19-14-11-18(27-3)15(21)12-16(14)22(2)17(19)13-24-7-5-23(6-8-24)9-10-25/h11-12,25H,4-10,13H2,1-3H3/p+2