N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-4-(2-ketopyrrolidino)benzamide Formula: C25H28N5O3S+ MolecularWeight: 478.58652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NCC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NCC(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N5O3S/c31-23-6-3-11-30(23)19-9-7-18(8-10-19)25(33)26-16-24(32)29-14-12-28(13-15-29)17-22-27-20-4-1-2-5-21(20)34-22/h1-2,4-5,7-10H,3,6,11-17H2,(H,26,33)/p+1