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

Systemtic Name: ethyl 5-bromanyl-3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[3-(3,3-dimethyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-(3,3-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+]3CCCC(C3)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN3O3/c1-4-28-20(27)19-18(15-12-14(22)6-7-16(15)23-19)24-17(26)8-11-25-10-5-9-21(2,3)13-25/h6-7,12,23H,4-5,8-11,13H2,1-3H3,(H,24,26)/p+1