2-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H22N4O2S/c24-17(20-14-5-6-14)13-22-9-11-23(12-10-22)19(25)8-7-18-21-15-3-1-2-4-16(15)26-18/h1-4,7-8,14H,5-6,9-13H2,(H,20,24)/p+1/b8-7+