N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]adamantane-1-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]adamantane-1-carboxamide Formula: C23H35N2OS+ MolecularWeight: 387.6018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CS5

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CS5

InChI

InChI=1S/C23H34N2OS/c26-22(23-13-17-10-18(14-23)12-19(11-17)15-23)24-16-20(21-6-5-9-27-21)25-7-3-1-2-4-8-25/h5-6,9,17-20H,1-4,7-8,10-16H2,(H,24,26)/p+1/t17?,18?,19?,20-,23?/m0/s1