ethyl 5-bromanyl-3-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[3-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H29BrN3O3+ MolecularWeight: 451.37726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CC[NH+]3CC(CC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CC[NH+]3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C21H28BrN3O3/c1-4-28-21(27)20-19(16-10-15(22)5-6-17(16)23-20)24-18(26)7-8-25-11-13(2)9-14(3)12-25/h5-6,10,13-14,23H,4,7-9,11-12H2,1-3H3,(H,24,26)/p+1/t13-,14-/m1/s1