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

Systemtic Name: N-[4-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]thiazol-2-yl]benzamide CAS Name: N-[4-[2-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-2-thiazolyl]benzamide IUPAC Name: N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-[2-keto-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethyl]thiazol-2-yl]benzamide Formula: C22H28N5O3S+ MolecularWeight: 442.55442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CC3=CSC(=N3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CC3=CSC(=N3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3S/c28-19(27-12-10-25(11-13-27)15-20(29)26-8-4-5-9-26)14-18-16-31-22(23-18)24-21(30)17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,23,24,30)/p+1