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

Systemtic Name: (E)-3-(3-methylthiophen-2-yl)-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-methyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-3-(3-methyl-2-thiophenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-methyl-2-thienyl)prop-2-en-1-one Formula: C19H23N2OS+ MolecularWeight: 327.46372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2OS/c1-16-9-14-23-18(16)7-8-19(22)21-12-10-20(11-13-21)15-17-5-3-2-4-6-17/h2-9,14H,10-13,15H2,1H3/p+1/b8-7+