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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetamide Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H29N5O2S/c1-2-26(21-22-17-7-3-4-8-18(17)29-21)20(28)16-24-13-11-23(12-14-24)15-19(27)25-9-5-6-10-25/h3-4,7-8H,2,5-6,9-16H2,1H3/p+1