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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,4-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=C(C=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-26-19-5-3-17(15-20(19)27-2)4-6-21(25)24-13-11-23(12-14-24)16-18-7-9-22-10-8-18/h3-10,15H,11-14,16H2,1-2H3/p+1/b6-4+