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

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-quinolin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(2-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-(2-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-quinolin-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(2-quinolyl)prop-2-en-1-one Formula: C24H23N4OS+ MolecularWeight: 415.53062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C=CC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H22N4OS/c29-24(12-11-19-10-9-18-5-1-2-6-20(18)25-19)28-15-13-27(14-16-28)17-23-26-21-7-3-4-8-22(21)30-23/h1-12H,13-17H2/p+1/b12-11+