(E)-3-(3,5-dimethoxyphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethoxyphenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-26-20-14-19(15-21(16-20)27-2)8-9-22(25)24-12-10-23(11-13-24)17-18-6-4-3-5-7-18/h3-9,14-16H,10-13,17H2,1-2H3/p+1/b9-8+