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

Systemtic Name: 6-bromanyl-5-methoxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: 6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-(1-piperidin-1-iumylmethyl)-3-indolecarboxylate IUPAC Name: 6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Formula: C17H21BrN2O3 MolecularWeight: 381.26424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=C1C[NH+]3CCCCC3)C(=O)[O-])OC)Br

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=C1C[NH+]3CCCCC3)C(=O)[O-])OC)Br

InChI

InChI=1S/C17H21BrN2O3/c1-19-13-9-12(18)15(23-2)8-11(13)16(17(21)22)14(19)10-20-6-4-3-5-7-20/h8-9H,3-7,10H2,1-2H3,(H,21,22)