N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-ylethyl]adamantane-1-carboxamide Traditional Name: N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Formula: C23H35N2O2+ MolecularWeight: 371.5362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)[NH+]5CCCCC5

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C23CC4CC(C2)CC(C4)C3)[NH+]5CCCCC5

InChI

InChI=1S/C23H34N2O2/c1-16-5-6-21(27-16)20(25-7-3-2-4-8-25)15-24-22(26)23-12-17-9-18(13-23)11-19(10-17)14-23/h5-6,17-20H,2-4,7-15H2,1H3,(H,24,26)/p+1/t17?,18?,19?,20-,23?/m0/s1