N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]ethyl]adamantane-1-carboxamide Formula: C25H38N3O2S+ MolecularWeight: 444.65312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CS5

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CS5

InChI

InChI=1S/C25H37N3O2S/c1-17-4-6-28(7-5-17)21(22-3-2-8-31-22)15-26-23(29)16-27-24(30)25-12-18-9-19(13-25)11-20(10-18)14-25/h2-3,8,17-21H,4-7,9-16H2,1H3,(H,26,29)(H,27,30)/p+1/t18?,19?,20?,21-,25?/m1/s1