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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-methoxy-phenyl]methyl-[(1S)-1-phenylethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-2-bromo-5-methoxy-phenyl]methyl-[(1S)-1-phenylethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-2-bromo-5-methoxy-benzyl]-[(1S)-1-phenylethyl]ammonium Formula: C18H22BrN2O3+ MolecularWeight: 394.28288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC2=CC(=C(C=C2Br)OCC(=O)N)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH2+]CC2=CC(=C(C=C2Br)OCC(=O)N)OC

InChI

InChI=1S/C18H21BrN2O3/c1-12(13-6-4-3-5-7-13)21-10-14-8-16(23-2)17(9-15(14)19)24-11-18(20)22/h3-9,12,21H,10-11H2,1-2H3,(H2,20,22)/p+1/t12-/m0/s1