(E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-[4-(1-imidazolyl)phenyl]-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C24H26N4O2/c29-24(11-8-21-6-9-22(10-7-21)28-13-12-25-20-28)27-16-14-26(15-17-27)18-19-30-23-4-2-1-3-5-23/h1-13,20H,14-19H2/p+1/b11-8+