[2-bromanyl-5-ethoxy-4-(2-hydroxyethyloxy)phenyl]methyl-[(1S)-1-phenylethyl]azanium

Systemtic Name: [2-bromanyl-5-ethoxy-4-(2-hydroxyethyloxy)phenyl]methyl-[(1S)-1-phenylethyl]azanium Openeye Name: [2-bromo-5-ethoxy-4-(2-hydroxyethoxy)phenyl]methyl-[(1S)-1-phenylethyl]ammonium CAS Name: [2-bromo-5-ethoxy-4-(2-hydroxyethoxy)phenyl]methyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: [2-bromo-5-ethoxy-4-(2-hydroxyethoxy)phenyl]methyl-[(1S)-1-phenylethyl]azanium Traditional Name: [2-bromo-5-ethoxy-4-(2-hydroxyethoxy)benzyl]-[(1S)-1-phenylethyl]ammonium Formula: C19H25BrNO3+ MolecularWeight: 395.3107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrNO3/c1-3-23-18-11-16(17(20)12-19(18)24-10-9-22)13-21-14(2)15-7-5-4-6-8-15/h4-8,11-12,14,21-22H,3,9-10,13H2,1-2H3/p+1/t14-/m0/s1