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

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-thiophen-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-(3-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-thiophen-3-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3-thienyl)prop-2-en-1-one Formula: C19H20N3OS2+ MolecularWeight: 370.5116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C=CC4=CSC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CSC=C4

InChI

InChI=1S/C19H19N3OS2/c23-19(6-5-15-7-12-24-14-15)22-10-8-21(9-11-22)13-18-20-16-3-1-2-4-17(16)25-18/h1-7,12,14H,8-11,13H2/p+1/b6-5+