N-(2-adamantylmethyl)-2-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: N-(2-adamantylmethyl)-2-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: N-(2-adamantylmethyl)-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide CAS Name: N-(2-adamantylmethyl)-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: N-(2-adamantylmethyl)-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: N-(2-adamantylmethyl)-2-keto-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide Formula: C27H34N3O2+ MolecularWeight: 432.57776

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C(=O)N3)C(=O)NCC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C(=O)N3)C(=O)NCC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C27H33N3O2/c31-26(28-14-25-21-10-17-9-18(12-21)13-22(25)11-17)24-6-5-23(29-27(24)32)16-30-8-7-19-3-1-2-4-20(19)15-30/h1-6,17-18,21-22,25H,7-16H2,(H,28,31)(H,29,32)/p+1