[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C18H22BrN2OS+ MolecularWeight: 394.34908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H21BrN2OS/c1-14(15-5-3-2-4-6-15)21-13-18(22)20-11-12-23-17-9-7-16(19)8-10-17/h2-10,14,21H,11-13H2,1H3,(H,20,22)/p+1/t14-/m1/s1