6,7-dimethoxy-3,3-dimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-4H-isoquinoline

Systemtic Name: 6,7-dimethoxy-3,3-dimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-4H-isoquinoline Openeye Name: 6,7-dimethoxy-3,3-dimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-4H-isoquinoline CAS Name: 6,7-dimethoxy-3,3-dimethyl-1-[2-(1-pyrrolidin-1-iumyl)ethyl]-4H-isoquinoline IUPAC Name: 6,7-dimethoxy-3,3-dimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-4H-isoquinoline Traditional Name: 6,7-dimethoxy-3,3-dimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-4H-isoquinoline Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=N1)CC[NH+]3CCCC3)OC)OC)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C(=N1)CC[NH+]3CCCC3)OC)OC)C

InChI

InChI=1S/C19H28N2O2/c1-19(2)13-14-11-17(22-3)18(23-4)12-15(14)16(20-19)7-10-21-8-5-6-9-21/h11-12H,5-10,13H2,1-4H3/p+1