ethyl 2,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ium-4-ylpropylamino)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ium-4-ylpropylamino)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ium-4-ylpropylamino)thiazol-4-yl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[5-methyl-2-[3-(4-morpholin-4-iumyl)propylamino]-4-thiazolyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ium-4-ylpropylamino)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ium-4-ylpropylamino)thiazol-4-yl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C2=C(SC(=N2)NCCC[NH+]3CCOCC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C2=C(SC(=N2)NCCC[NH+]3CCOCC3)C)C

InChI

InChI=1S/C20H30N4O3S/c1-5-27-19(25)16-13(2)17(22-14(16)3)18-15(4)28-20(23-18)21-7-6-8-24-9-11-26-12-10-24/h22H,5-12H2,1-4H3,(H,21,23)/p+1