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

Systemtic Name: 7-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-pyridin-2-yl-methyl]quinolin-8-ol Openeye Name: 7-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-ol CAS Name: 7-[(S)-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-(2-pyridinyl)methyl]-8-quinolinol IUPAC Name: 7-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-pyridin-2-ylmethyl]quinolin-8-ol Traditional Name: 7-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-ol Formula: C24H25N5O+2 MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H23N5O/c30-24-19(10-9-18-6-5-13-27-22(18)24)23(20-7-1-3-11-25-20)29-16-14-28(15-17-29)21-8-2-4-12-26-21/h1-13,23,30H,14-17H2/p+2/t23-/m0/s1