N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]but-3-enamide

Systemtic Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]but-3-enamide Openeye Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]but-3-enamide CAS Name: N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-3-butenamide IUPAC Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]but-3-enamide Traditional Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]but-3-enamide Formula: C19H25N5O+2 MolecularWeight: 339.4347

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C=CCC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23N5O/c1-2-6-18(25)22-15-16-7-5-10-21-19(16)24-13-11-23(12-14-24)17-8-3-4-9-20-17/h2-5,7-10H,1,6,11-15H2,(H,22,25)/p+2