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

Systemtic Name: (E)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-thienyl)prop-2-en-1-one Formula: C18H21N2OS+ MolecularWeight: 313.43714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C18H20N2OS/c21-18(9-8-17-7-4-14-22-17)20-12-10-19(11-13-20)15-16-5-2-1-3-6-16/h1-9,14H,10-13,15H2/p+1/b9-8+