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

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C18H24BrN2O3+ MolecularWeight: 396.29876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O3/c1-3-24-18(23)17-12-9-16(22)13(19)10-14(12)20(2)15(17)11-21-7-5-4-6-8-21/h9-10,22H,3-8,11H2,1-2H3/p+1