(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (3-bromo-5-ethoxy-4-methoxy-phenyl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-methoxyphenyl)methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-methoxyphenyl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (3-bromo-5-ethoxy-4-methoxy-benzyl)-[(1R)-1-phenylethyl]ammonium Formula: C18H23BrNO2+ MolecularWeight: 365.28472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)C2=CC=CC=C2)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+][C@H](C)C2=CC=CC=C2)Br)OC

InChI

InChI=1S/C18H22BrNO2/c1-4-22-17-11-14(10-16(19)18(17)21-3)12-20-13(2)15-8-6-5-7-9-15/h5-11,13,20H,4,12H2,1-3H3/p+1/t13-/m1/s1