(3S)-1-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-3-amine CAS Name: (3S)-1-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2-adamantyl)-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-(1,3-benzodioxol-5-yl)amine Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2C3CC4CC(C3)CC2C4)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2C3CC4CC(C3)CC2C4)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C22H30N2O2/c1-2-19(23-18-3-4-20-21(11-18)26-13-25-20)12-24(5-1)22-16-7-14-6-15(9-16)10-17(22)8-14/h3-4,11,14-17,19,22-23H,1-2,5-10,12-13H2/p+1/t14?,15?,16?,17?,19-,22?/m0/s1