2-[[4-(5-chloranylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]-8-methoxy-quinoline

Systemtic Name: 2-[[4-(5-chloranylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]-8-methoxy-quinoline Openeye Name: 2-[[4-(5-chloro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-8-methoxy-quinoline CAS Name: 2-[[4-(5-chloro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]-8-methoxyquinoline IUPAC Name: 2-[[4-(5-chloropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-8-methoxyquinoline Traditional Name: 2-[[4-(5-chloro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-8-methoxy-quinoline Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(C=C2)C[NH+]3CCN(CC3)C4=NC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC2=C1N=C(C=C2)C[NH+]3CCN(CC3)C4=NC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN4O/c1-26-18-4-2-3-15-5-7-17(23-20(15)18)14-24-9-11-25(12-10-24)19-8-6-16(21)13-22-19/h2-8,13H,9-12,14H2,1H3/p+1