4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-4-carbonitrile

Systemtic Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-4-carbonitrile Openeye Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-4-carbonitrile CAS Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-piperidin-1-iumcarbonitrile IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-4-carbonitrile Traditional Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-4-carbonitrile Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3(CC[NH2+]CC3)C#N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3(CC[NH2+]CC3)C#N)OC

InChI

InChI=1S/C17H23N3O2/c1-21-15-9-13-3-8-20(11-14(13)10-16(15)22-2)17(12-18)4-6-19-7-5-17/h9-10,19H,3-8,11H2,1-2H3/p+1