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

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

Isomeric SMILES

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

InChI

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