(2R)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: (2R)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: (2R)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydrobenzofuran-2-carboxamide CAS Name: (2R)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: (2R)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: (2R)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]coumaran-2-carboxamide Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)[C@H]4CC5=CC=CC=C5O4

InChI

InChI=1S/C26H27N3O2/c30-26(25-18-21-8-4-5-9-24(21)31-25)27-22-10-12-23(13-11-22)29-16-14-28(15-17-29)19-20-6-2-1-3-7-20/h1-13,25H,14-19H2,(H,27,30)/p+1/t25-/m1/s1