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

Systemtic Name: 1-adamantyl-[[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methyl]azanium Openeye Name: 1-adamantyl-[[5-(3-chloro-4-methoxy-phenyl)-2-furyl]methyl]ammonium CAS Name: 1-adamantyl-[[5-(3-chloro-4-methoxyphenyl)-2-furanyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]azanium Traditional Name: 1-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+]C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]C34CC5CC(C3)CC(C5)C4)Cl

InChI

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