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N-(1-adamantylcarbamoyl)-2-isoquinolin-2-ium-2-yl-ethanamide

N-(1-adamantylcarbamoyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name:N-(1-adamantylcarbamoyl)-2-isoquinolin-2-ium-2-yl-ethanamide
Openeye Name:N-(1-adamantylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide
CAS Name:N-[(1-adamantylamino)-oxomethyl]-2-(2-isoquinolin-2-iumyl)acetamide
IUPAC Name:N-(1-adamantylcarbamoyl)-2-isoquinolin-2-ium-2-ylacetamide
Traditional Name:N-(1-adamantylcarbamoyl)-2-isoquinolin-2-ium-2-yl-acetamide
Formula: C22H26N3O2+
MolecularWeight: 364.46074
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)C[N+]4=CC5=CC=CC=C5C=C4


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)C[N+]4=CC5=CC=CC=C5C=C4


InChI

InChI=1S/C22H25N3O2/c26-20(14-25-6-5-18-3-1-2-4-19(18)13-25)23-21(27)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,13,15-17H,7-12,14H2,(H-,23,24,26,27)/p+1


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