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

Systemtic Name: 1-ethyl-3-(3-oxidanylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-ethyl-3-(3-hydroxypropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-ethyl-3-(3-hydroxypropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-ethyl-3-(3-hydroxypropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-ethyl-3-(3-hydroxypropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)NCCCO)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)NCCCO)C#N

InChI

InChI=1S/C15H21N3O/c1-2-14-12-7-4-3-6-11(12)13(10-16)15(18-14)17-8-5-9-19/h19H,2-9H2,1H3,(H,17,18)/p+1