N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]adamantane-1-carboxamide CAS Name: N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]adamantane-1-carboxamide Traditional Name: N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]adamantane-1-carboxamide Formula: C25H37N2O+ MolecularWeight: 381.57408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)[NH+]5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C23CC4CC(C2)CC(C4)C3)[NH+]5CCCCC5

InChI

InChI=1S/C25H36N2O/c1-18-5-7-22(8-6-18)23(27-9-3-2-4-10-27)17-26-24(28)25-14-19-11-20(15-25)13-21(12-19)16-25/h5-8,19-21,23H,2-4,9-17H2,1H3,(H,26,28)/p+1/t19?,20?,21?,23-,25?/m0/s1