1-propyl-3-(pyridin-3-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-propyl-3-(pyridin-3-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-propyl-3-(3-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-propyl-3-(3-pyridinylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-propyl-3-(pyridin-3-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-propyl-3-(3-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H23N4+ MolecularWeight: 307.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CN=CC=C3)C#N

Isomeric SMILES

CCCC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CN=CC=C3)C#N

InChI

InChI=1S/C19H22N4/c1-2-6-18-16-9-4-3-8-15(16)17(11-20)19(23-18)22-13-14-7-5-10-21-12-14/h5,7,10,12H,2-4,6,8-9,13H2,1H3,(H,22,23)/p+1