N-[2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide CAS Name: N-[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Traditional Name: N-[2-(4-veratroylpiperazin-1-ium-1-yl)ethyl]-2-furamide Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C20H25N3O5/c1-26-16-6-5-15(14-18(16)27-2)20(25)23-11-9-22(10-12-23)8-7-21-19(24)17-4-3-13-28-17/h3-6,13-14H,7-12H2,1-2H3,(H,21,24)/p+1