[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (3-ethoxy-4-isobutoxy-phenyl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (3-ethoxy-4-isobutoxy-benzyl)-[(1R)-1-phenylethyl]ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-5-23-21-13-18(11-12-20(21)24-15-16(2)3)14-22-17(4)19-9-7-6-8-10-19/h6-13,16-17,22H,5,14-15H2,1-4H3/p+1/t17-/m1/s1