phenyl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: phenyl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: phenyl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: phenyl-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: phenyl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: phenyl-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H18N3O+ MolecularWeight: 268.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3O/c20-16(14-6-2-1-3-7-14)19-12-10-18(11-13-19)15-8-4-5-9-17-15/h1-9H,10-13H2/p+1