2-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]ethanol nitrate

Systemtic Name: 2-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]ethanol nitrate Openeye Name: 2-[4-(6,7-dimethoxy-1-isoquinolyl)piperazin-1-yl]ethanol nitrate CAS Name: 2-[4-(6,7-dimethoxy-1-isoquinolinyl)-1-piperazinyl]ethanol nitrate IUPAC Name: 2-[4-(6,7-dimethoxyisoquinolin-1-yl)piperazin-1-yl]ethanol nitrate Traditional Name: 2-[4-(6,7-dimethoxy-1-isoquinolyl)piperazino]ethanol nitrate Formula: C17H23N4O6- MolecularWeight: 379.38772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2N3CCN(CC3)CCO)OC.[N+](=O)([O-])[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2N3CCN(CC3)CCO)OC.[N+](=O)([O-])[O-]

InChI

InChI=1S/C17H23N3O3.NO3/c1-22-15-11-13-3-4-18-17(14(13)12-16(15)23-2)20-7-5-19(6-8-20)9-10-21;2-1(3)4/h3-4,11-12,21H,5-10H2,1-2H3;/q;-1