5-morpholin-4-yl-4-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-morpholin-4-yl-4-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiophene-2-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-morpholino-4-phenyl-thiophene-2-carboxamide CAS Name: 5-(4-morpholinyl)-4-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-morpholino-4-phenyl-thiophene-2-carboxamide Formula: C27H32N3O2S+ MolecularWeight: 462.62688

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N3O2S/c31-26(28-23-11-13-29(14-12-23)20-21-7-3-1-4-8-21)25-19-24(22-9-5-2-6-10-22)27(33-25)30-15-17-32-18-16-30/h1-10,19,23H,11-18,20H2,(H,28,31)/p+1