N-[1-[2-(3-ethoxypropylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[2-(3-ethoxypropylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[2-(3-ethoxypropylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide CAS Name: N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-piperidin-1-iumyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-[2-(3-ethoxypropylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Formula: C23H40N3O3+ MolecularWeight: 406.582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N3O3/c1-2-29-9-3-6-24-21(27)16-26-7-4-20(5-8-26)25-22(28)23-13-17-10-18(14-23)12-19(11-17)15-23/h17-20H,2-16H2,1H3,(H,24,27)(H,25,28)/p+1