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

Systemtic Name: 2-adamantyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: 2-adamantyl-[3-methoxy-4-(2-thenyloxy)benzyl]ammonium Formula: C23H30NO2S+ MolecularWeight: 384.5548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO2S/c1-25-22-12-15(4-5-21(22)26-14-20-3-2-6-27-20)13-24-23-18-8-16-7-17(10-18)11-19(23)9-16/h2-6,12,16-19,23-24H,7-11,13-14H2,1H3/p+1