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

Systemtic Name: methyl 6-bromanyl-5-methoxy-1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: methyl 6-bromo-5-methoxy-1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-(1-pyrrolidin-1-iumylmethyl)-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-5-methoxy-1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylic acid methyl ester Formula: C17H22BrN2O3+ MolecularWeight: 382.27218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=C1C[NH+]3CCCC3)C(=O)OC)OC)Br

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=C1C[NH+]3CCCC3)C(=O)OC)OC)Br

InChI

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