1-(1-adamantyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone

Systemtic Name: 1-(1-adamantyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Openeye Name: 1-(1-adamantyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone CAS Name: 1-(1-adamantyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone IUPAC Name: 1-(1-adamantyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Traditional Name: 1-(1-adamantyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Formula: C21H28NO+ MolecularWeight: 310.45312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28NO/c23-20(14-22-6-5-18-3-1-2-4-19(18)13-22)21-10-15-7-16(11-21)9-17(8-15)12-21/h5-6,13,15-17H,1-4,7-12,14H2/q+1