2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-propanoyl]-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-propanoyl]-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-propanoyl]-benzyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-3-[(4-methoxyphenyl)thio]-1-oxopropyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)sulfanylpropanoyl]-benzylamino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-[(4-methoxyphenyl)thio]propanoyl]-benzyl-amino]ethyl-dimethyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC)C(=O)N(CC[NH+](C)C)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)N(CC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O3S/c1-18(27)24-22(17-30-21-12-10-20(29-4)11-13-21)23(28)26(15-14-25(2)3)16-19-8-6-5-7-9-19/h5-13,22H,14-17H2,1-4H3,(H,24,27)/p+1/t22-/m1/s1