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

Systemtic Name: 3-(phenoxymethyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(phenoxymethyl)benzofuran-2-carboxamide CAS Name: 3-(phenoxymethyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(phenoxymethyl)coumarilamide Formula: C33H32N3O3+ MolecularWeight: 518.62548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5O4)COC6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5O4)COC6=CC=CC=C6

InChI

InChI=1S/C33H31N3O3/c37-33(32-30(24-38-28-11-5-2-6-12-28)29-13-7-8-14-31(29)39-32)34-26-15-17-27(18-16-26)36-21-19-35(20-22-36)23-25-9-3-1-4-10-25/h1-18H,19-24H2,(H,34,37)/p+1