N-[1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]piperidin-1-ium-4-yl]benzamide Formula: C23H31N5O2+2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H29N5O2/c29-22(28-16-14-27(15-17-28)21-8-4-5-11-24-21)18-26-12-9-20(10-13-26)25-23(30)19-6-2-1-3-7-19/h1-8,11,20H,9-10,12-18H2,(H,25,30)/p+2