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

Systemtic Name: (4-phenoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-phenoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-phenoxyphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-phenoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-phenoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H22N3O2+ MolecularWeight: 360.42898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2/c26-22(25-16-14-24(15-17-25)21-8-4-5-13-23-21)18-9-11-20(12-10-18)27-19-6-2-1-3-7-19/h1-13H,14-17H2/p+1