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

Systemtic Name: ethyl 6-bromanyl-2-methyl-5-oxidanyl-1-phenyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C24H28BrN2O3+ MolecularWeight: 472.39472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+]3CCCCC3)O)Br)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+]3CCCCC3)O)Br)C4=CC=CC=C4)C

InChI

InChI=1S/C24H27BrN2O3/c1-3-30-24(29)21-16(2)27(17-10-6-4-7-11-17)20-14-19(25)23(28)18(22(20)21)15-26-12-8-5-9-13-26/h4,6-7,10-11,14,28H,3,5,8-9,12-13,15H2,1-2H3/p+1