2-[2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-(2-keto-2-piperidino-ethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C20H29N5O3/c21-20(28)16-6-2-3-7-17(16)22-18(26)14-23-10-12-24(13-11-23)15-19(27)25-8-4-1-5-9-25/h2-3,6-7H,1,4-5,8-15H2,(H2,21,28)(H,22,26)/p+1