2-[4-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)CC(=O)NCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)CC(=O)NCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H27N5O2S/c1-2-8-21-18(26)14-24-10-12-25(13-11-24)15-19(27)22-9-7-20-23-16-5-3-4-6-17(16)28-20/h2-6H,1,7-15H2,(H,21,26)(H,22,27)/p+1