6-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide

Systemtic Name: 6-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-6-(m-tolylmethyl)thieno[2,3-b]pyrrole-5-carboxamide CAS Name: 6-[(3-methylphenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-5-thieno[2,3-b]pyrrolecarboxamide IUPAC Name: 6-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide Traditional Name: 6-(3-methylbenzyl)-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC3=C2SC=C3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC3=C2SC=C3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C21H25N3O2S/c1-16-3-2-4-17(13-16)15-24-19(14-18-5-12-27-21(18)24)20(25)22-6-7-23-8-10-26-11-9-23/h2-5,12-14H,6-11,15H2,1H3,(H,22,25)/p+1