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

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H25N3O3/c1-26-19-5-3-4-18(21(19)27-2)6-7-20(25)24-14-12-23(13-15-24)16-17-8-10-22-11-9-17/h3-11H,12-16H2,1-2H3/p+1/b7-6+