[(1S)-1-(1-adamantyl)ethyl]-[(5-bromanyl-2-ethoxy-phenyl)methyl]azanium

Systemtic Name: [(1S)-1-(1-adamantyl)ethyl]-[(5-bromanyl-2-ethoxy-phenyl)methyl]azanium Openeye Name: [(1S)-1-(1-adamantyl)ethyl]-[(5-bromo-2-ethoxy-phenyl)methyl]ammonium CAS Name: [(1S)-1-(1-adamantyl)ethyl]-[(5-bromo-2-ethoxyphenyl)methyl]ammonium IUPAC Name: [(1S)-1-(1-adamantyl)ethyl]-[(5-bromo-2-ethoxyphenyl)methyl]azanium Traditional Name: [(1S)-1-(1-adamantyl)ethyl]-(5-bromo-2-ethoxy-benzyl)ammonium Formula: C21H31BrNO+ MolecularWeight: 393.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C[NH2+]C(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C[NH2+][C@@H](C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30BrNO/c1-3-24-20-5-4-19(22)9-18(20)13-23-14(2)21-10-15-6-16(11-21)8-17(7-15)12-21/h4-5,9,14-17,23H,3,6-8,10-13H2,1-2H3/p+1/t14-,15?,16?,17?,21?/m0/s1