methyl 5-bromanyl-3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5-bromo-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5-bromo-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-5-bromo-1H-indole-2-carboxylic acid methyl ester Formula: C24H27BrN3O3+ MolecularWeight: 485.39348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26BrN3O3/c1-31-24(30)23-22(19-14-18(25)7-8-20(19)26-23)27-21(29)15-28-11-9-17(10-12-28)13-16-5-3-2-4-6-16/h2-8,14,17,26H,9-13,15H2,1H3,(H,27,29)/p+1