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

Systemtic Name: methyl 3-[[(2R)-2-(4-aminocarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-5-bromanyl-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[(2R)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(2R)-2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[(2R)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[(2R)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H24BrN4O4+ MolecularWeight: 452.32226

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN4O4/c1-10(24-7-5-11(6-8-24)17(21)25)18(26)23-15-13-9-12(20)3-4-14(13)22-16(15)19(27)28-2/h3-4,9-11,22H,5-8H2,1-2H3,(H2,21,25)(H,23,26)/p+1/t10-/m1/s1