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

Systemtic Name: 3-(3-oxidanylpropylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(3-hydroxypropylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(3-hydroxypropylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(3-hydroxypropylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(3-hydroxypropylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCC2=C(C(=[NH+]1)NCCCO)C#N

Isomeric SMILES

CCCC1=C2CCCCC2=C(C(=[NH+]1)NCCCO)C#N

InChI

InChI=1S/C16H23N3O/c1-2-6-15-13-8-4-3-7-12(13)14(11-17)16(19-15)18-9-5-10-20/h20H,2-10H2,1H3,(H,18,19)/p+1