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

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]adamantane-1-carboxamide Traditional Name: N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)[NH+]5CCCC5

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C23CC4CC(C2)CC(C4)C3)[NH+]5CCCC5

InChI

InChI=1S/C22H32N2O2/c1-15-4-5-20(26-15)19(24-6-2-3-7-24)14-23-21(25)22-11-16-8-17(12-22)10-18(9-16)13-22/h4-5,16-19H,2-3,6-14H2,1H3,(H,23,25)/p+1/t16?,17?,18?,19-,22?/m0/s1