N-[(2S)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[(2S)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-2-phenyl-2-piperidin-1-ium-1-ylethyl]adamantane-1-carboxamide Traditional Name: N-[(2S)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Formula: C24H35N2O+ MolecularWeight: 367.5475

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C24H34N2O/c27-23(24-14-18-11-19(15-24)13-20(12-18)16-24)25-17-22(21-7-3-1-4-8-21)26-9-5-2-6-10-26/h1,3-4,7-8,18-20,22H,2,5-6,9-17H2,(H,25,27)/p+1/t18?,19?,20?,22-,24?/m1/s1