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

Systemtic Name: 1-ethyl-3-(phenethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-ethyl-3-(phenethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-ethyl-3-(phenethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-ethyl-3-(phenethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-ethyl-3-(phenethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H24N3+ MolecularWeight: 306.42466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)NCCC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)NCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H23N3/c1-2-19-17-11-7-6-10-16(17)18(14-21)20(23-19)22-13-12-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,22,23)/p+1