(E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-methoxy-5-methylphenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methoxy-5-methylphenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(3-thenyl)piperazin-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(C=C1)OC)C=CC(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)/C=C/C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C20H24N2O2S/c1-16-3-5-19(24-2)18(13-16)4-6-20(23)22-10-8-21(9-11-22)14-17-7-12-25-15-17/h3-7,12-13,15H,8-11,14H2,1-2H3/p+1/b6-4+