methyl 3-[2-[4-(9H-fluoren-9-yl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(9H-fluoren-9-yl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(9H-fluoren-9-yl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(9H-fluoren-9-yl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(9H-fluoren-9-yl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(9H-fluoren-9-yl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C29H29N4O3+ MolecularWeight: 481.56556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCN(CC3)C4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCN(CC3)C4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C29H28N4O3/c1-36-29(35)27-26(23-12-6-7-13-24(23)30-27)31-25(34)18-32-14-16-33(17-15-32)28-21-10-4-2-8-19(21)20-9-3-5-11-22(20)28/h2-13,28,30H,14-18H2,1H3,(H,31,34)/p+1