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

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c25-21(11-10-17-6-2-1-3-7-17)24-14-12-23(13-15-24)16-20-22-18-8-4-5-9-19(18)26-20/h1-11H,12-16H2/p+1/b11-10+