N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(1-adamantyl)-N-m-anisyl-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C24H35N2O2+ MolecularWeight: 383.5469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C(=O)C[NH+]2CCCC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)CN(C(=O)C[NH+]2CCCC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N2O2/c1-28-22-6-4-5-18(12-22)16-26(23(27)17-25-7-2-3-8-25)24-13-19-9-20(14-24)11-21(10-19)15-24/h4-6,12,19-21H,2-3,7-11,13-17H2,1H3/p+1