3-[(phenylmethyl)amino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-[(phenylmethyl)amino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(benzylamino)-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[(phenylmethyl)amino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(benzylamino)-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H24N3+ MolecularWeight: 306.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N

InChI

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