phenyl-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: phenyl-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: phenyl-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: phenyl-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: phenyl-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: phenyl-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C17H20N3O+ MolecularWeight: 282.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O/c21-17(15-6-2-1-3-7-15)20-12-10-19(11-13-20)14-16-8-4-5-9-18-16/h1-9H,10-14H2/p+1