[4-(cyanomethoxy)-3-ethoxy-5-iodanyl-phenyl]methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [4-(cyanomethoxy)-3-ethoxy-5-iodanyl-phenyl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [4-(cyanomethoxy)-3-ethoxy-5-iodo-phenyl]methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [4-(cyanomethoxy)-3-ethoxy-5-iodo-benzyl]-[(1R)-1-phenylethyl]ammonium Formula: C19H22IN2O2+ MolecularWeight: 437.29465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)C2=CC=CC=C2)I)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C19H21IN2O2/c1-3-23-18-12-15(11-17(20)19(18)24-10-9-21)13-22-14(2)16-7-5-4-6-8-16/h4-8,11-12,14,22H,3,10,13H2,1-2H3/p+1/t14-/m1/s1