ethyl 4,5-dimethyl-2-(2-morpholin-4-ium-4-ylethanoylamino)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(2-morpholin-4-ium-4-ylethanoylamino)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-1-(2-thenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C)CC2=CC=CS2)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C)CC2=CC=CS2)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C20H27N3O4S/c1-4-27-20(25)18-14(2)15(3)23(12-16-6-5-11-28-16)19(18)21-17(24)13-22-7-9-26-10-8-22/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,21,24)/p+1