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

Systemtic Name: methyl 5-bromanyl-3-[[(2R)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]-5-bromo-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(2R)-1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]-5-bromo-1H-indole-2-carboxylate Traditional Name: 3-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]-5-bromo-1H-indole-2-carboxylic acid methyl ester Formula: C25H29BrN3O3+ MolecularWeight: 499.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28BrN3O3/c1-16(29-12-10-18(11-13-29)14-17-6-4-3-5-7-17)24(30)28-22-20-15-19(26)8-9-21(20)27-23(22)25(31)32-2/h3-9,15-16,18,27H,10-14H2,1-2H3,(H,28,30)/p+1/t16-/m1/s1