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

Systemtic Name: 2-adamantyl-[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methyl]azanium Openeye Name: 2-adamantyl-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl]ammonium CAS Name: 2-adamantyl-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]azanium Traditional Name: 2-adamantyl-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl]ammonium Formula: C22H27ClNO+ MolecularWeight: 356.90888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H26ClNO/c1-13-19(3-2-4-20(13)23)21-6-5-18(25-21)12-24-22-16-8-14-7-15(10-16)11-17(22)9-14/h2-6,14-17,22,24H,7-12H2,1H3/p+1