N-[1-[2-[methyl(piperidin-2-yl)amino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]but-3-enamide

Systemtic Name: N-[1-[2-[methyl(piperidin-2-yl)amino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]but-3-enamide Openeye Name: N-[1-[2-[methyl(2-piperidyl)amino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]but-3-enamide CAS Name: N-[1-[2-[methyl(2-piperidinyl)amino]-4-pyrimidinyl]-1-benzimidazol-1-iumyl]-3-butenamide IUPAC Name: N-[1-[2-[methyl(piperidin-2-yl)amino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]but-3-enamide Traditional Name: N-[1-[2-[methyl(2-piperidyl)amino]pyrimidin-4-yl]benzimidazol-1-ium-1-yl]but-3-enamide Formula: C21H26N7O+ MolecularWeight: 392.47744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCN1)C2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(=O)CC=C

Isomeric SMILES

CN(C1CCCCN1)C2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(=O)CC=C

InChI

InChI=1S/C21H25N7O/c1-3-8-20(29)26-28(15-24-16-9-4-5-10-17(16)28)19-12-14-23-21(25-19)27(2)18-11-6-7-13-22-18/h3-5,9-10,12,14-15,18,22H,1,6-8,11,13H2,2H3/p+1