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

Systemtic Name: methyl 3-[[(2R)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(2R)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[(2R)-2-(4-cyclohexyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(2R)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[(2R)-2-(4-cyclohexylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)[NH+]3CCN(CC3)C4CCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)[NH+]3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C23H32N4O3/c1-16(26-12-14-27(15-13-26)17-8-4-3-5-9-17)22(28)25-20-18-10-6-7-11-19(18)24-21(20)23(29)30-2/h6-7,10-11,16-17,24H,3-5,8-9,12-15H2,1-2H3,(H,25,28)/p+1/t16-/m1/s1