[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-[(1R)-1-phenylethyl]ammonium Formula: C18H22ClN2O3+ MolecularWeight: 349.83188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC2=CC(=C(C(=C2)Cl)OCC(=O)N)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC2=CC(=C(C(=C2)Cl)OCC(=O)N)OC

InChI

InChI=1S/C18H21ClN2O3/c1-12(14-6-4-3-5-7-14)21-10-13-8-15(19)18(16(9-13)23-2)24-11-17(20)22/h3-9,12,21H,10-11H2,1-2H3,(H2,20,22)/p+1/t12-/m1/s1