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

Systemtic Name: ethyl 5-methoxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-methoxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 5-methoxy-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-methoxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4/c1-3-28-23(26)22-19-15-18(27-2)9-10-20(19)29-21(22)16-24-11-13-25(14-12-24)17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3/p+1