methyl 5-chloranyl-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H28ClN4O3+ MolecularWeight: 467.96782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H27ClN4O3/c1-33-25(32)24-23(20-16-19(26)9-10-21(20)27-24)28-22(31)17-30-14-12-29(13-15-30)11-5-8-18-6-3-2-4-7-18/h2-10,16,27H,11-15,17H2,1H3,(H,28,31)/p+1/b8-5+