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

Systemtic Name: 7-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-4-yl-methyl]quinolin-1-ium-8-ol Openeye Name: 7-[(4-methylpiperazine-1,4-diium-1-yl)-(4-pyridyl)methyl]quinolin-1-ium-8-ol CAS Name: 7-[(4-methyl-1-piperazine-1,4-diiumyl)-pyridin-4-ylmethyl]-8-quinolin-1-iumol IUPAC Name: 7-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-4-ylmethyl]quinolin-1-ium-8-ol Traditional Name: 7-[(4-methylpiperazine-1,4-diium-1-yl)-(4-pyridyl)methyl]quinolin-1-ium-8-ol Formula: C20H25N4O+3 MolecularWeight: 337.4387

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(C2=CC=NC=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C(C2=CC=NC=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O

InChI

InChI=1S/C20H22N4O/c1-23-11-13-24(14-12-23)19(16-6-9-21-10-7-16)17-5-4-15-3-2-8-22-18(15)20(17)25/h2-10,19,25H,11-14H2,1H3/p+3