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

Systemtic Name: methyl 3-[[(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxopropyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C23H27N4O5+ MolecularWeight: 439.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C(C)[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)[C@H](C)[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C(=O)OC

InChI

InChI=1S/C23H26N4O5/c1-14-6-7-17-16(13-14)19(20(24-17)23(30)31-3)25-21(28)15(2)26-8-10-27(11-9-26)22(29)18-5-4-12-32-18/h4-7,12-13,15,24H,8-11H2,1-3H3,(H,25,28)/p+1/t15-/m0/s1