(6S,10R)-10-ethyl-10-methyl-4-(4-piperidin-1-ium-1-ylbut-2-ynyl)-9-oxa-4-azoniaspiro[5.5]undecane

Systemtic Name: (6S,10R)-10-ethyl-10-methyl-4-(4-piperidin-1-ium-1-ylbut-2-ynyl)-9-oxa-4-azoniaspiro[5.5]undecane Openeye Name: (6S,10R)-10-ethyl-10-methyl-4-(4-piperidin-1-ium-1-ylbut-2-ynyl)-9-oxa-4-azoniaspiro[5.5]undecane CAS Name: (6S,10R)-10-ethyl-10-methyl-4-[4-(1-piperidin-1-iumyl)but-2-ynyl]-9-oxa-4-azoniaspiro[5.5]undecane IUPAC Name: (6S,10R)-10-ethyl-10-methyl-4-(4-piperidin-1-ium-1-ylbut-2-ynyl)-9-oxa-4-azoniaspiro[5.5]undecane Traditional Name: (6S,10R)-10-ethyl-10-methyl-4-(4-piperidin-1-ium-1-ylbut-2-ynyl)-9-oxa-4-azoniaspiro[5.5]undecane Formula: C21H38N2O+2 MolecularWeight: 334.53922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2(CCC[NH+](C2)CC#CC[NH+]3CCCCC3)CCO1)C

Isomeric SMILES

CC[C@@]1(C[C@]2(CCC[NH+](C2)CC#CC[NH+]3CCCCC3)CCO1)C

InChI

InChI=1S/C21H36N2O/c1-3-20(2)18-21(11-17-24-20)10-9-16-23(19-21)15-8-7-14-22-12-5-4-6-13-22/h3-6,9-19H2,1-2H3/p+2/t20-,21+/m1/s1