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

Systemtic Name: 1-(furan-2-yl)-3-(3-methylbutylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-(2-furyl)-3-(isopentylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(2-furanyl)-3-(3-methylbutylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-(furan-2-yl)-3-(3-methylbutylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-(2-furyl)-3-(isoamylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C19H24N3O+ MolecularWeight: 310.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3

Isomeric SMILES

CC(C)CCNC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3

InChI

InChI=1S/C19H23N3O/c1-13(2)9-10-21-19-16(12-20)14-6-3-4-7-15(14)18(22-19)17-8-5-11-23-17/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3,(H,21,22)/p+1