N-[2-(azepan-1-yl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H29N3O/c27-23(18-25-16-13-19-9-3-4-10-20(19)17-25)24-21-11-5-6-12-22(21)26-14-7-1-2-8-15-26/h3-6,9-12H,1-2,7-8,13-18H2,(H,24,27)/p+1