N-[4-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-[oxo-[2-(1-pyrrolidin-1-iumyl)ethylamino]methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N3O2/c28-22(25-7-10-27-8-1-2-9-27)20-3-5-21(6-4-20)26-23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h3-6,17-19H,1-2,7-16H2,(H,25,28)(H,26,29)/p+1