6-methoxy-3-(1-quinolin-4-ylpiperazin-1-ium-1-yl)-1,2-benzoxazole hydrochloride

Systemtic Name: 6-methoxy-3-(1-quinolin-4-ylpiperazin-1-ium-1-yl)-1,2-benzoxazole hydrochloride Openeye Name: 6-methoxy-3-[1-(4-quinolyl)piperazin-1-ium-1-yl]-1,2-benzoxazole hydrochloride CAS Name: 6-methoxy-3-[1-(4-quinolinyl)-1-piperazin-1-iumyl]-1,2-benzoxazole hydrochloride IUPAC Name: 6-methoxy-3-(1-quinolin-4-ylpiperazin-1-ium-1-yl)-1,2-benzoxazole hydrochloride Traditional Name: 6-methoxy-3-[1-(4-quinolyl)piperazin-1-ium-1-yl]indoxazene hydrochloride Formula: C21H22ClN4O2+ MolecularWeight: 397.87798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NO2)[N+]3(CCNCC3)C4=CC=NC5=CC=CC=C54.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NO2)[N+]3(CCNCC3)C4=CC=NC5=CC=CC=C54.Cl

InChI

InChI=1S/C21H21N4O2.ClH/c1-26-15-6-7-17-20(14-15)27-24-21(17)25(12-10-22-11-13-25)19-8-9-23-18-5-3-2-4-16(18)19;/h2-9,14,22H,10-13H2,1H3;1H/q+1;