(2-bromanyl-5-ethoxy-4-propoxy-phenyl)methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: (2-bromanyl-5-ethoxy-4-propoxy-phenyl)methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (2-bromo-5-ethoxy-4-propoxy-phenyl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (2-bromo-5-ethoxy-4-propoxyphenyl)methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (2-bromo-5-ethoxy-4-propoxyphenyl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (2-bromo-5-ethoxy-4-propoxy-benzyl)-[(1R)-1-phenylethyl]ammonium Formula: C20H27BrNO2+ MolecularWeight: 393.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Br)C[NH2+]C(C)C2=CC=CC=C2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Br)C[NH2+][C@H](C)C2=CC=CC=C2)OCC

InChI

InChI=1S/C20H26BrNO2/c1-4-11-24-20-13-18(21)17(12-19(20)23-5-2)14-22-15(3)16-9-7-6-8-10-16/h6-10,12-13,15,22H,4-5,11,14H2,1-3H3/p+1/t15-/m1/s1