N-cyclopropyl-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazine-1,4-diiumyl]ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Formula: C22H33N5O3+2 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4CC4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4CC4

InChI

InChI=1S/C22H31N5O3/c28-20(24-19-6-2-1-5-18(19)22(30)23-17-7-8-17)15-25-11-13-26(14-12-25)16-21(29)27-9-3-4-10-27/h1-2,5-6,17H,3-4,7-16H2,(H,23,30)(H,24,28)/p+2