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

Systemtic Name: (3-phenoxyphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (3-phenoxyphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (3-phenoxyphenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-phenoxyphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (3-phenoxyphenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C22H22N3O2+ MolecularWeight: 360.42898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

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