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

Systemtic Name: 6-[(2-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-(o-tolylmethyl)thieno[2,3-b]pyrrole-5-carboxamide CAS Name: 6-[(2-methylphenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-5-thieno[2,3-b]pyrrolecarboxamide IUPAC Name: 6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide Traditional Name: 6-(2-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=C1CN2C(=CC3=C2SC=C3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1CN2C(=CC3=C2SC=C3)C(=O)NCC[NH+]4CCOCC4

InChI

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