7-[(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-yl-methyl]quinolin-8-ol

Systemtic Name: 7-[(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-yl-methyl]quinolin-8-ol Openeye Name: 7-[(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-yl-methyl]quinolin-8-ol CAS Name: 7-[(4-ethyl-1-piperazine-1,4-diiumyl)-(3-pyridin-1-iumyl)methyl]-8-quinolinol IUPAC Name: 7-[(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol Traditional Name: 7-[(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-3-yl-methyl]quinolin-8-ol Formula: C21H27N4O+3 MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C2=C[NH+]=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C(C2=C[NH+]=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O

InChI

InChI=1S/C21H24N4O/c1-2-24-11-13-25(14-12-24)20(17-6-3-9-22-15-17)18-8-7-16-5-4-10-23-19(16)21(18)26/h3-10,15,20,26H,2,11-14H2,1H3/p+3