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

Systemtic Name: methyl 5-methyl-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[(2S)-1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H29N4O3+ MolecularWeight: 421.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/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/h4-10,15,17,25H,11-14H2,1-3H3,(H,26,29)/p+1/t17-/m0/s1