(E)-3-(1,3-benzothiazol-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)prop-2-en-1-one Formula: C19H19N4OS+ MolecularWeight: 351.44536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4OS/c24-19(9-8-18-21-15-5-1-2-6-16(15)25-18)23-13-11-22(12-14-23)17-7-3-4-10-20-17/h1-10H,11-14H2/p+1/b9-8+