ethyl 3-[[(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[[(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C24H29N4O6+ MolecularWeight: 469.51026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)[C@H](C)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C24H28N4O6/c1-4-33-24(31)21-20(17-14-16(32-3)7-8-18(17)25-21)26-22(29)15(2)27-9-11-28(12-10-27)23(30)19-6-5-13-34-19/h5-8,13-15,25H,4,9-12H2,1-3H3,(H,26,29)/p+1/t15-/m0/s1