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

Systemtic Name: 1-methyl-3-(3-oxidanylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(3-hydroxypropylamino)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(3-hydroxypropylamino)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(3-hydroxypropylamino)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(3-hydroxypropylamino)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)NCCCO)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)NCCCO)C#N

InChI

InChI=1S/C14H19N3O/c1-10-11-5-2-3-6-12(11)13(9-15)14(17-10)16-7-4-8-18/h18H,2-8H2,1H3,(H,16,17)/p+1