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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCNC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3/c1-2-3-9-14-23-21-19(15-22)17-12-7-8-13-18(17)20(24-21)16-10-5-4-6-11-16/h4-6,10-11H,2-3,7-9,12-14H2,1H3,(H,23,24)/p+1