4-methyl-N-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide

Systemtic Name: 4-methyl-N-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide Openeye Name: 4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-N-(p-tolylmethyl)thieno[3,2-b]pyrrole-5-carboxamide CAS Name: 4-methyl-N-[(4-methylphenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-5-thieno[3,2-b]pyrrolecarboxamide IUPAC Name: 4-methyl-N-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide Traditional Name: 4-methyl-N-(4-methylbenzyl)-N-(3-morpholin-4-ium-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCC[NH+]2CCOCC2)C(=O)C3=CC4=C(N3C)C=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCC[NH+]2CCOCC2)C(=O)C3=CC4=C(N3C)C=CS4

InChI

InChI=1S/C23H29N3O2S/c1-18-4-6-19(7-5-18)17-26(10-3-9-25-11-13-28-14-12-25)23(27)21-16-22-20(24(21)2)8-15-29-22/h4-8,15-16H,3,9-14,17H2,1-2H3/p+1