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

Systemtic Name: (E)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-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-(5-methyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-3-(5-methyl-2-thienyl)prop-2-en-1-one Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(S3)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=C(S3)C

InChI

InChI=1S/C20H24N2OS/c1-16-5-3-4-6-18(16)15-21-11-13-22(14-12-21)20(23)10-9-19-8-7-17(2)24-19/h3-10H,11-15H2,1-2H3/p+1/b10-9+