(E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-[4-(1-imidazolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-imidazol-1-ylphenyl)-1-(4-piperonylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C24H24N4O3/c29-24(8-4-19-1-5-21(6-2-19)28-10-9-25-17-28)27-13-11-26(12-14-27)16-20-3-7-22-23(15-20)31-18-30-22/h1-10,15,17H,11-14,16,18H2/p+1/b8-4+