3-(3-oxidanylpropylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-(3-oxidanylpropylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(3-hydroxypropylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(3-hydroxypropylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(3-hydroxypropylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(3-hydroxypropylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H22N3O+ MolecularWeight: 308.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCCCO)C3=CC=CC=C3

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCCCO)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O/c20-13-17-15-9-4-5-10-16(15)18(14-7-2-1-3-8-14)22-19(17)21-11-6-12-23/h1-3,7-8,23H,4-6,9-12H2,(H,21,22)/p+1