(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-ethoxy-3-methyl-benzofuran-2-yl)methanone CAS Name: (5-ethoxy-3-methyl-2-benzofuranyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-ethoxy-3-methyl-benzofuran-2-yl)methanone Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3/c1-3-27-19-9-10-21-20(15-19)17(2)22(28-21)23(26)25-13-11-24(12-14-25)16-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16H2,1-2H3/p+1