(E)-3-(7-methoxy-1-benzofuran-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(7-methoxy-1-benzofuran-2-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(7-methoxybenzofuran-2-yl)prop-2-en-1-one CAS Name: (E)-3-(7-methoxy-2-benzofuranyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(7-methoxybenzofuran-2-yl)prop-2-en-1-one Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C=CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)/C=C/C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O3/c1-27-21-9-5-8-19-16-20(28-23(19)21)10-11-22(26)25-14-12-24(13-15-25)17-18-6-3-2-4-7-18/h2-11,16H,12-15,17H2,1H3/p+1/b11-10+