propan-2-yl 2,4-dimethyl-5-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-carbonyl]-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H36N4O3+2 MolecularWeight: 392.53554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CC[NH+](CC2)CC[NH+]3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CC[NH+](CC2)CC[NH+]3CCCC3

InChI

InChI=1S/C21H34N4O3/c1-15(2)28-21(27)18-16(3)19(22-17(18)4)20(26)25-13-11-24(12-14-25)10-9-23-7-5-6-8-23/h15,22H,5-14H2,1-4H3/p+2