1-(4-aminophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 1-(4-aminophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 1-(4-aminophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 1-(4-aminophenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-aminophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-aminophenyl)-3-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC=C(C=C2)N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC=C(C=C2)N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H22N4O/c19-16-6-4-15(5-7-16)17(23)8-10-21-11-13-22(14-12-21)18-3-1-2-9-20-18/h1-7,9H,8,10-14,19H2/p+1