[(1S)-1-(1-adamantyl)-2-oxidanyl-ethyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [(1S)-1-(1-adamantyl)-2-oxidanyl-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: [(1S)-1-(1-adamantyl)-2-hydroxy-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: [(1S)-1-(1-adamantyl)-2-hydroxyethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [(1S)-1-(1-adamantyl)-2-hydroxyethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(1S)-1-(1-adamantyl)-2-hydroxy-ethyl]-p-anisyl-ammonium Formula: C20H30NO2+ MolecularWeight: 316.4577

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH2+]C(CO)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH2+][C@H](CO)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H29NO2/c1-23-18-4-2-14(3-5-18)12-21-19(13-22)20-9-15-6-16(10-20)8-17(7-15)11-20/h2-5,15-17,19,21-22H,6-13H2,1H3/p+1/t15?,16?,17?,19-,20?/m1/s1