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

Systemtic Name: phenyl-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: phenyl-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: phenyl-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: phenyl-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: phenyl-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O/c22-18(16-6-2-1-3-7-16)21-14-12-20(13-15-21)11-9-17-8-4-5-10-19-17/h1-8,10H,9,11-15H2/p+1