ethyl 4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)OC

InChI

InChI=1S/C24H28N2O4/c1-4-29-24(27)26-12-10-25(11-13-26)16-19-14-22-20(15-21(19)28-3)23(17(2)30-22)18-8-6-5-7-9-18/h5-9,14-15H,4,10-13,16H2,1-3H3/p+1