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

Systemtic Name: N-(3-azanyl-4-chloranyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3-amino-4-chloro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(3-amino-4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-amino-4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3-amino-4-chloro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C17H19ClN3O+ MolecularWeight: 316.80526

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=CC(=C(C=C3)Cl)N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C17H18ClN3O/c18-15-6-5-14(9-16(15)19)20-17(22)11-21-8-7-12-3-1-2-4-13(12)10-21/h1-6,9H,7-8,10-11,19H2,(H,20,22)/p+1