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

Systemtic Name: methyl 5-bromanyl-3-[[(2S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[(2S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(2S)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[(2S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[(2S)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H25BrN3O3+ MolecularWeight: 423.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C19H24BrN3O3/c1-11-5-4-8-23(10-11)12(2)18(24)22-16-14-9-13(20)6-7-15(14)21-17(16)19(25)26-3/h6-7,9,11-12,21H,4-5,8,10H2,1-3H3,(H,22,24)/p+1/t11-,12+/m1/s1