2-[1-[3-(3-methoxypyrazin-2-yl)oxy-2-oxidanyl-propyl]piperidin-1-ium-4-yl]-3,4-dihydroisoquinolin-1-one bromide

Systemtic Name: 2-[1-[3-(3-methoxypyrazin-2-yl)oxy-2-oxidanyl-propyl]piperidin-1-ium-4-yl]-3,4-dihydroisoquinolin-1-one bromide Openeye Name: 2-[1-[2-hydroxy-3-(3-methoxypyrazin-2-yl)oxy-propyl]piperidin-1-ium-4-yl]-3,4-dihydroisoquinolin-1-one bromide CAS Name: 2-[1-[2-hydroxy-3-[(3-methoxy-2-pyrazinyl)oxy]propyl]-4-piperidin-1-iumyl]-3,4-dihydroisoquinolin-1-one bromide IUPAC Name: 2-[1-[2-hydroxy-3-(3-methoxypyrazin-2-yl)oxypropyl]piperidin-1-ium-4-yl]-3,4-dihydroisoquinolin-1-one bromide Traditional Name: 2-[1-[2-hydroxy-3-(3-methoxypyrazin-2-yl)oxy-propyl]piperidin-1-ium-4-yl]-3,4-dihydroisocarbostyril bromide Formula: C22H29BrN4O4 MolecularWeight: 493.39406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CN=C1OCC(C[NH+]2CCC(CC2)N3CCC4=CC=CC=C4C3=O)O.[Br-]

Isomeric SMILES

COC1=NC=CN=C1OCC(C[NH+]2CCC(CC2)N3CCC4=CC=CC=C4C3=O)O.[Br-]

InChI

InChI=1S/C22H28N4O4.BrH/c1-29-20-21(24-10-9-23-20)30-15-18(27)14-25-11-7-17(8-12-25)26-13-6-16-4-2-3-5-19(16)22(26)28;/h2-5,9-10,17-18,27H,6-8,11-15H2,1H3;1H