(5-bromanyl-2-ethoxy-phenyl)methyl-[(5S,7R)-3-oxidanyl-1-adamantyl]azanium

Systemtic Name: (5-bromanyl-2-ethoxy-phenyl)methyl-[(5S,7R)-3-oxidanyl-1-adamantyl]azanium Openeye Name: (5-bromo-2-ethoxy-phenyl)methyl-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium CAS Name: (5-bromo-2-ethoxyphenyl)methyl-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium IUPAC Name: (5-bromo-2-ethoxyphenyl)methyl-[(5S,7R)-3-hydroxy-1-adamantyl]azanium Traditional Name: (5-bromo-2-ethoxy-benzyl)-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium Formula: C19H27BrNO2+ MolecularWeight: 381.32718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C[NH2+]C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C19H26BrNO2/c1-2-23-17-4-3-16(20)6-15(17)11-21-18-7-13-5-14(8-18)10-19(22,9-13)12-18/h3-4,6,13-14,21-22H,2,5,7-12H2,1H3/p+1/t13-,14+,18?,19?