ethyl 5-bromanyl-3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[3-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C26H32BrN4O3+ MolecularWeight: 528.46128

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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+]3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C26H31BrN4O3/c1-4-34-26(33)25-24(20-16-19(27)8-9-21(20)28-25)29-23(32)10-11-30-12-14-31(15-13-30)22-7-5-6-17(2)18(22)3/h5-9,16,28H,4,10-15H2,1-3H3,(H,29,32)/p+1