N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]acetamide Formula: C22H32N5O3S+ MolecularWeight: 446.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C22H31N5O3S/c1-2-30-17-6-7-18-19(14-17)31-22(23-18)24-20(28)15-25-10-12-26(13-11-25)16-21(29)27-8-4-3-5-9-27/h6-7,14H,2-5,8-13,15-16H2,1H3,(H,23,24,28)/p+1