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

Systemtic Name: methyl 3-[[(2S)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(2S)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-(4-cyclohexyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C24H35N4O3+ MolecularWeight: 427.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C(C)[NH+]3CCN(CC3)C4CCCCC4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)[C@H](C)[NH+]3CCN(CC3)C4CCCCC4)C(=O)OC

InChI

InChI=1S/C24H34N4O3/c1-16-9-10-20-19(15-16)21(22(25-20)24(30)31-3)26-23(29)17(2)27-11-13-28(14-12-27)18-7-5-4-6-8-18/h9-10,15,17-18,25H,4-8,11-14H2,1-3H3,(H,26,29)/p+1/t17-/m0/s1