2-[6-[1-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]pyridin-3-yl]oxyethanol

Systemtic Name: 2-[6-[1-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]pyridin-3-yl]oxyethanol Openeye Name: 2-[[6-[1-(1-ethylpiperazin-1-ium-1-yl)-3-isoquinolyl]-3-pyridyl]oxy]ethanol CAS Name: 2-[[6-[1-(1-ethyl-1-piperazin-1-iumyl)-3-isoquinolinyl]-3-pyridinyl]oxy]ethanol IUPAC Name: 2-[6-[1-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]pyridin-3-yl]oxyethanol Traditional Name: 2-[[6-[1-(1-ethylpiperazin-1-ium-1-yl)-3-isoquinolyl]-3-pyridyl]oxy]ethanol Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCNCC1)C2=NC(=CC3=CC=CC=C32)C4=NC=C(C=C4)OCCO

Isomeric SMILES

CC[N+]1(CCNCC1)C2=NC(=CC3=CC=CC=C32)C4=NC=C(C=C4)OCCO

InChI

InChI=1S/C22H27N4O2/c1-2-26(11-9-23-10-12-26)22-19-6-4-3-5-17(19)15-21(25-22)20-8-7-18(16-24-20)28-14-13-27/h3-8,15-16,23,27H,2,9-14H2,1H3/q+1