ethyl 5-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H32N3O4+ MolecularWeight: 414.51788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C23H31N3O4/c1-6-30-23(28)20-15(2)21(24-16(20)3)22(27)17(4)25-11-13-26(14-12-25)18-9-7-8-10-19(18)29-5/h7-10,17,24H,6,11-14H2,1-5H3/p+1/t17-/m0/s1