(E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-p-anisylpiperazin-4-ium-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c1-30-23-10-7-20(8-11-23)18-26-13-15-27(16-14-26)24(29)12-9-21-17-25-28(19-21)22-5-3-2-4-6-22/h2-12,17,19H,13-16,18H2,1H3/p+1/b12-9+