5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-8-ol

Systemtic Name: 5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-8-ol Openeye Name: 5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-8-ol CAS Name: 5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-8-quinolinol IUPAC Name: 5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-8-ol Traditional Name: 5-[(4-pyridin-1-ium-2-ylpiperazino)methyl]quinolin-8-ol Formula: C19H21N4O+ MolecularWeight: 321.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C=CC=NC3=C(C=C2)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CC2=C3C=CC=NC3=C(C=C2)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H20N4O/c24-17-7-6-15(16-4-3-9-21-19(16)17)14-22-10-12-23(13-11-22)18-5-1-2-8-20-18/h1-9,24H,10-14H2/p+1