N-[1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[2-(allylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide CAS Name: N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]-4-piperidin-1-iumyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-[2-(allylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCC(CC1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCC(CC1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H33N3O2/c1-2-5-22-19(25)14-24-6-3-18(4-7-24)23-20(26)21-11-15-8-16(12-21)10-17(9-15)13-21/h2,15-18H,1,3-14H2,(H,22,25)(H,23,26)/p+1