3-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]propionitrile Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H27N3O/c19-2-1-3-20-4-6-21(7-5-20)17(22)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1,3-13H2/p+1