(E)-3-[5-(4-methylpiperazin-4-ium-1-yl)-1,2,3-thiadiazol-4-yl]-1-naphthalen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[5-(4-methylpiperazin-4-ium-1-yl)-1,2,3-thiadiazol-4-yl]-1-naphthalen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-[5-(4-methylpiperazin-4-ium-1-yl)thiadiazol-4-yl]-1-(2-naphthyl)prop-2-en-1-one CAS Name: (E)-3-[5-(4-methyl-1-piperazin-4-iumyl)-4-thiadiazolyl]-1-(2-naphthalenyl)-2-propen-1-one IUPAC Name: (E)-3-[5-(4-methylpiperazin-4-ium-1-yl)thiadiazol-4-yl]-1-naphthalen-2-ylprop-2-en-1-one Traditional Name: (E)-3-[5-(4-methylpiperazin-4-ium-1-yl)thiadiazol-4-yl]-1-(2-naphthyl)prop-2-en-1-one Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=NS2)C=CC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=NS2)/C=C/C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H20N4OS/c1-23-10-12-24(13-11-23)20-18(21-22-26-20)8-9-19(25)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,14H,10-13H2,1H3/p+1/b9-8+