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

Systemtic Name: methyl 5-bromanyl-3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H30BrN4O3+ MolecularWeight: 514.4347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC)C

InChI

InChI=1S/C25H29BrN4O3/c1-15-6-5-7-21(16(15)2)30-12-10-29(11-13-30)17(3)24(31)28-22-19-14-18(26)8-9-20(19)27-23(22)25(32)33-4/h5-9,14,17,27H,10-13H2,1-4H3,(H,28,31)/p+1