3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(homoveratrylamino)-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)NCCC3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)NCCC3=CC(=C(C=C3)OC)OC)C#N

InChI

InChI=1S/C23H29N3O2/c1-15(2)22-18-8-6-5-7-17(18)19(14-24)23(26-22)25-12-11-16-9-10-20(27-3)21(13-16)28-4/h9-10,13,15H,5-8,11-12H2,1-4H3,(H,25,26)/p+1