N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]adamantane-1-carboxamide Formula: C23H33N2O+ MolecularWeight: 353.52092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O/c26-22(23-12-17-9-18(13-23)11-19(10-17)14-23)24-15-20-5-1-2-6-21(20)16-25-7-3-4-8-25/h1-2,5-6,17-19H,3-4,7-16H2,(H,24,26)/p+1