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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C15H18N3OS+ MolecularWeight: 288.38792

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H17N3OS/c1-17-8-10-18(11-9-17)15(19)7-6-14-16-12-4-2-3-5-13(12)20-14/h2-7H,8-11H2,1H3/p+1/b7-6+