[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(5-methoxy-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: (5-methoxy-3-methyl-benzofuran-2-yl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C24H29N2O5+ MolecularWeight: 425.49746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H28N2O5/c1-16-19-14-18(28-2)6-8-20(19)31-23(16)24(27)26-11-9-25(10-12-26)15-17-5-7-21(29-3)22(13-17)30-4/h5-8,13-14H,9-12,15H2,1-4H3/p+1