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

Systemtic Name: 3-(4-aminophenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-aminophenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-aminophenyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-aminophenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-aminophenyl)-1-(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(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=CC=C(C=C3)N

InChI

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