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

Systemtic Name: (E)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-methyl-2-thienyl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-(3-methyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-3-(3-methyl-2-thienyl)prop-2-en-1-one Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C20H24N2OS/c1-16-5-3-4-6-18(16)15-21-10-12-22(13-11-21)20(23)8-7-19-17(2)9-14-24-19/h3-9,14H,10-13,15H2,1-2H3/p+1/b8-7+