4-(1-adamantyl)-2,6-bis(piperidin-1-ium-1-ylmethyl)phenol

Systemtic Name: 4-(1-adamantyl)-2,6-bis(piperidin-1-ium-1-ylmethyl)phenol Openeye Name: 4-(1-adamantyl)-2,6-bis(piperidin-1-ium-1-ylmethyl)phenol CAS Name: 4-(1-adamantyl)-2,6-bis(1-piperidin-1-iumylmethyl)phenol IUPAC Name: 4-(1-adamantyl)-2,6-bis(piperidin-1-ium-1-ylmethyl)phenol Traditional Name: 4-(1-adamantyl)-2,6-bis(piperidin-1-ium-1-ylmethyl)phenol Formula: C28H44N2O+2 MolecularWeight: 424.66176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=CC(=C2O)C[NH+]3CCCCC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=CC(=C2O)C[NH+]3CCCCC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H42N2O/c31-27-24(19-29-7-3-1-4-8-29)14-26(15-25(27)20-30-9-5-2-6-10-30)28-16-21-11-22(17-28)13-23(12-21)18-28/h14-15,21-23,31H,1-13,16-20H2/p+2