2-[(E)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-prop-1-enyl]benzonitrile Formula: C22H21N4OS+ MolecularWeight: 389.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC=CC=C4C#N

InChI

InChI=1S/C22H20N4OS/c23-15-18-6-2-1-5-17(18)9-10-22(27)26-13-11-25(12-14-26)16-21-24-19-7-3-4-8-20(19)28-21/h1-10H,11-14,16H2/p+1/b10-9+