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

Systemtic Name: 7-[(S)-(4-ethylpiperazin-4-ium-1-yl)-pyridin-2-yl-methyl]quinolin-8-ol Openeye Name: 7-[(S)-(4-ethylpiperazin-4-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-ol CAS Name: 7-[(S)-(4-ethyl-1-piperazin-4-iumyl)-(2-pyridinyl)methyl]-8-quinolinol IUPAC Name: 7-[(S)-(4-ethylpiperazin-4-ium-1-yl)-pyridin-2-ylmethyl]quinolin-8-ol Traditional Name: 7-[(S)-(4-ethylpiperazin-4-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-ol Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@@H](C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4

InChI

InChI=1S/C21H24N4O/c1-2-24-12-14-25(15-13-24)20(18-7-3-4-10-22-18)17-9-8-16-6-5-11-23-19(16)21(17)26/h3-11,20,26H,2,12-15H2,1H3/p+1/t20-/m0/s1