4-phenoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-phenoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 4-phenoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one CAS Name: 4-phenoxy-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-phenoxy-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 4-phenoxy-1-(4-pyridin-1-ium-2-ylpiperazino)butan-1-one Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2/c23-19(10-6-16-24-17-7-2-1-3-8-17)22-14-12-21(13-15-22)18-9-4-5-11-20-18/h1-5,7-9,11H,6,10,12-16H2/p+1