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

Systemtic Name: 3-(3-methylbutylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(isopentylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(3-methylbutylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(3-methylbutylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(isoamylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C21H26N3+ MolecularWeight: 320.45124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3/c1-15(2)12-13-23-21-19(14-22)17-10-6-7-11-18(17)20(24-21)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,23,24)/p+1