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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(4-benzylpiperazin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(4-benzylpiperazin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(4-benzylpiperazin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3/c1-15-19(22(27)28-4)16(2)23-20(15)21(26)17(3)25-12-10-24(11-13-25)14-18-8-6-5-7-9-18/h5-9,17,23H,10-14H2,1-4H3/p+1/t17-/m0/s1