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

Systemtic Name: ethyl 5-methoxy-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[(2S)-1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H31N4O4+ MolecularWeight: 451.53804

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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