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

Systemtic Name: (E)-3-(2-methylphenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(o-tolyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-methylphenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methylphenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(o-tolyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C19H23N2OS+ MolecularWeight: 327.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2OS/c1-16-4-2-3-5-18(16)6-7-19(22)21-11-9-20(10-12-21)14-17-8-13-23-15-17/h2-8,13,15H,9-12,14H2,1H3/p+1/b7-6+