3-[ethyl(2-hydroxyethyl)amino]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-[ethyl(2-hydroxyethyl)amino]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[ethyl(2-hydroxyethyl)amino]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[ethyl(2-hydroxyethyl)amino]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[ethyl(2-hydroxyethyl)amino]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[ethyl(2-hydroxyethyl)amino]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H24N3O+ MolecularWeight: 322.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CC=C3

Isomeric SMILES

CCN(CCO)C1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O/c1-2-23(12-13-24)20-18(14-21)16-10-6-7-11-17(16)19(22-20)15-8-4-3-5-9-15/h3-5,8-9,24H,2,6-7,10-13H2,1H3/p+1