ethyl 6-bromanyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-4-(4-morpholin-4-iumylmethyl)-1-phenyl-2-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-4-(morpholin-4-ium-4-ylmethyl)-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C28H36BrN3O4+2 MolecularWeight: 558.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+]3CCOCC3)O)Br)C4=CC=CC=C4)C[NH+]5CCCCC5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+]3CCOCC3)O)Br)C4=CC=CC=C4)C[NH+]5CCCCC5

InChI

InChI=1S/C28H34BrN3O4/c1-2-36-28(34)26-24(19-30-11-7-4-8-12-30)32(20-9-5-3-6-10-20)23-17-22(29)27(33)21(25(23)26)18-31-13-15-35-16-14-31/h3,5-6,9-10,17,33H,2,4,7-8,11-16,18-19H2,1H3/p+2