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

Systemtic Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-(4-p-anisylpiperazin-4-ium-1-yl)-3-phenyl-prop-2-en-1-one Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2/c1-25-20-10-7-19(8-11-20)17-22-13-15-23(16-14-22)21(24)12-9-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3/p+1/b12-9+