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

Systemtic Name: 3-(methoxymethyl)-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-(methoxymethyl)benzofuran-2-carboxamide CAS Name: 3-(methoxymethyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(methoxymethyl)coumarilamide Formula: C28H30N3O3+ MolecularWeight: 456.5561

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c1-33-20-25-24-9-5-6-10-26(24)34-27(25)28(32)29-22-11-13-23(14-12-22)31-17-15-30(16-18-31)19-21-7-3-2-4-8-21/h2-14H,15-20H2,1H3,(H,29,32)/p+1