(E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-methyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-(5-methyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-methyl-2-thienyl)-1-(4-p-anisylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N2O2S/c1-16-3-8-19(25-16)9-10-20(23)22-13-11-21(12-14-22)15-17-4-6-18(24-2)7-5-17/h3-10H,11-15H2,1-2H3/p+1/b10-9+