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

Systemtic Name: (E)-3-(4-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-methoxyphenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-methoxyphenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H23N3O2/c1-25-19-5-2-17(3-6-19)4-7-20(24)23-14-12-22(13-15-23)16-18-8-10-21-11-9-18/h2-11H,12-16H2,1H3/p+1/b7-4+