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

Systemtic Name: 3,3-dimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-4H-isoquinoline Openeye Name: 3,3-dimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-4H-isoquinoline CAS Name: 3,3-dimethyl-1-[2-(1-pyrrolidin-1-iumyl)ethyl]-4H-isoquinoline IUPAC Name: 3,3-dimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-4H-isoquinoline Traditional Name: 3,3-dimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-4H-isoquinoline Formula: C17H25N2+ MolecularWeight: 257.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2/c1-17(2)13-14-7-3-4-8-15(14)16(18-17)9-12-19-10-5-6-11-19/h3-4,7-8H,5-6,9-13H2,1-2H3/p+1