N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)adamantane-1-carboxamide

Systemtic Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)adamantane-1-carboxamide Openeye Name: N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)adamantane-1-carboxamide CAS Name: N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)adamantane-1-carboxamide Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H34N4O3/c1-16-8-20(25-30-16)24-21(28)15-27(7-6-26-4-2-3-5-26)22(29)23-12-17-9-18(13-23)11-19(10-17)14-23/h8,17-19H,2-7,9-15H2,1H3,(H,24,25,28)/p+1