(2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-propanol IUPAC Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propan-2-ol Formula: C25H39N2O2+ MolecularWeight: 399.58936

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CN1CCC[NH+](CC1)C[C@H](COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C25H38N2O2/c1-26-7-2-8-27(10-9-26)17-23(28)18-29-24-5-3-22(4-6-24)25-14-19-11-20(15-25)13-21(12-19)16-25/h3-6,19-21,23,28H,2,7-18H2,1H3/p+1/t19?,20?,21?,23-,25?/m1/s1