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

Systemtic Name: 4-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 4-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one CAS Name: 4-phenyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 4-phenyl-1-(4-pyridin-1-ium-2-ylpiperazino)butan-1-one Formula: C19H24N3O+ MolecularWeight: 310.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O/c23-19(11-6-9-17-7-2-1-3-8-17)22-15-13-21(14-16-22)18-10-4-5-12-20-18/h1-5,7-8,10,12H,6,9,11,13-16H2/p+1