N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]adamantane-1-carboxamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Formula: C25H38N3O+ MolecularWeight: 396.58872

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)[NH+]5CCCC5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C23CC4CC(C2)CC(C4)C3)[NH+]5CCCC5

InChI

InChI=1S/C25H37N3O/c1-27(2)22-7-5-21(6-8-22)23(28-9-3-4-10-28)17-26-24(29)25-14-18-11-19(15-25)13-20(12-18)16-25/h5-8,18-20,23H,3-4,9-17H2,1-2H3,(H,26,29)/p+1/t18?,19?,20?,23-,25?/m0/s1