2-adamantyl-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

Systemtic Name: 2-adamantyl-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-bromo-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: 2-adamantyl-[3-bromo-5-methoxy-4-(2-thenyloxy)benzyl]ammonium Formula: C23H29BrNO2S+ MolecularWeight: 463.45086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OCC5=CC=CS5

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OCC5=CC=CS5

InChI

InChI=1S/C23H28BrNO2S/c1-26-21-11-16(10-20(24)23(21)27-13-19-3-2-4-28-19)12-25-22-17-6-14-5-15(8-17)9-18(22)7-14/h2-4,10-11,14-15,17-18,22,25H,5-9,12-13H2,1H3/p+1