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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)NCCCO)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)NCCCO)C#N

InChI

InChI=1S/C16H23N3O/c1-11(2)15-13-7-4-3-6-12(13)14(10-17)16(19-15)18-8-5-9-20/h11,20H,3-9H2,1-2H3,(H,18,19)/p+1