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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H28N4O3+2 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4O3/c1-13-17(20(26)27-4)14(2)22-18(13)19(25)15(3)23-9-11-24(12-10-23)16-7-5-6-8-21-16/h5-8,15,22H,9-12H2,1-4H3/p+2/t15-/m0/s1