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

Systemtic Name: 1-ethyl-3-(3-methylbutylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-ethyl-3-(isopentylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-ethyl-3-(3-methylbutylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-ethyl-3-(3-methylbutylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-ethyl-3-(isoamylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C17H26N3+ MolecularWeight: 272.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3/c1-4-16-14-8-6-5-7-13(14)15(11-18)17(20-16)19-10-9-12(2)3/h12H,4-10H2,1-3H3,(H,19,20)/p+1