(2S)-1-(1-adamantyl)-2-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(1-adamantyl)-2-piperidin-1-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(1-adamantyl)-2-piperidin-1-ium-1-yl-propan-1-one CAS Name: (2S)-1-(1-adamantyl)-2-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(1-adamantyl)-2-piperidin-1-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(1-adamantyl)-2-piperidin-1-ium-1-yl-propan-1-one Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)[NH+]4CCCCC4

Isomeric SMILES

C[C@@H](C(=O)C12CC3CC(C1)CC(C3)C2)[NH+]4CCCCC4

InChI

InChI=1S/C18H29NO/c1-13(19-5-3-2-4-6-19)17(20)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-16H,2-12H2,1H3/p+1/t13-,14?,15?,16?,18?/m0/s1