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

Systemtic Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-20(2,3)22-17(25)14-23-10-12-24(13-11-23)19(26)9-8-18-21-15-6-4-5-7-16(15)27-18/h4-9H,10-14H2,1-3H3,(H,22,25)/p+1/b9-8+