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

Systemtic Name: 1-ethyl-3-(2-methylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-ethyl-3-(isobutylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-ethyl-3-(2-methylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-ethyl-3-(2-methylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-ethyl-3-(isobutylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C16H24N3+ MolecularWeight: 258.38186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3/c1-4-15-13-8-6-5-7-12(13)14(9-17)16(19-15)18-10-11(2)3/h11H,4-8,10H2,1-3H3,(H,18,19)/p+1