ethyl 6-bromanyl-5-methoxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-(4-morpholin-4-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C18H24BrN2O4+ MolecularWeight: 412.29816

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+]3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O4/c1-4-25-18(22)17-12-9-16(23-3)13(19)10-14(12)20(2)15(17)11-21-5-7-24-8-6-21/h9-10H,4-8,11H2,1-3H3/p+1