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

Systemtic Name: methyl 3-[[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C(C)[NH+]3CCN(CC3)C4=CC=CC=C4OC)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=CC=C4OC)C(=O)OC

InChI

InChI=1S/C25H30N4O4/c1-16-9-10-19-18(15-16)22(23(26-19)25(31)33-4)27-24(30)17(2)28-11-13-29(14-12-28)20-7-5-6-8-21(20)32-3/h5-10,15,17,26H,11-14H2,1-4H3,(H,27,30)/p+1/t17-/m0/s1