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

Systemtic Name: (E)-3-(5-methylthiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-methyl-2-thienyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-methyl-2-thiophenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(5-methylthiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-methyl-2-thienyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C18H21N3OS/c1-15-2-3-17(23-15)4-5-18(22)21-12-10-20(11-13-21)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3/p+1/b5-4+