N-(3-azanyl-4-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3-azanyl-4-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3-amino-4-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(3-amino-4-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-amino-4-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3-amino-4-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C18H22N3O+ MolecularWeight: 296.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)N

InChI

InChI=1S/C18H21N3O/c1-13-6-7-16(10-17(13)19)20-18(22)12-21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10H,8-9,11-12,19H2,1H3,(H,20,22)/p+1