2-methyl-6-pentoxy-isoquinolin-2-ium bromide hydrate

Systemtic Name: 2-methyl-6-pentoxy-isoquinolin-2-ium bromide hydrate Openeye Name: 2-methyl-6-pentoxy-isoquinolin-2-ium bromide hydrate CAS Name: 2-methyl-6-pentoxyisoquinolin-2-ium bromide hydrate IUPAC Name: 2-methyl-6-pentoxyisoquinolin-2-ium bromide hydrate Traditional Name: 6-amoxy-2-methyl-isoquinolin-2-ium bromide hydrate Formula: C15H22BrNO2 MolecularWeight: 328.24468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)C=[N+](C=C2)C.O.[Br-]

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)C=[N+](C=C2)C.O.[Br-]

InChI

InChI=1S/C15H20NO.BrH.H2O/c1-3-4-5-10-17-15-7-6-14-12-16(2)9-8-13(14)11-15;;/h6-9,11-12H,3-5,10H2,1-2H3;1H;1H2/q+1;;/p-1