2-adamantyl-[[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methyl]azanium

Systemtic Name: 2-adamantyl-[[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methyl]azanium Openeye Name: 2-adamantyl-[[5-(3-chloro-4-methoxy-phenyl)-2-furyl]methyl]ammonium CAS Name: 2-adamantyl-[[5-(3-chloro-4-methoxyphenyl)-2-furanyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]azanium Traditional Name: 2-adamantyl-[[5-(3-chloro-4-methoxy-phenyl)-2-furyl]methyl]ammonium Formula: C22H27ClNO2+ MolecularWeight: 372.90828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]C3C4CC5CC(C4)CC3C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]C3C4CC5CC(C4)CC3C5)Cl

InChI

InChI=1S/C22H26ClNO2/c1-25-21-4-2-15(11-19(21)23)20-5-3-18(26-20)12-24-22-16-7-13-6-14(9-16)10-17(22)8-13/h2-5,11,13-14,16-17,22,24H,6-10,12H2,1H3/p+1