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

Systemtic Name: 2-[[(2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-3-[(4-butylphenyl)thio]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-(4-butylphenyl)sulfanylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-[(4-butylphenyl)thio]propanoyl]amino]ethyl-dimethyl-ammonium Formula: C19H32N3O2S+ MolecularWeight: 366.54128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)NCC[NH+](C)C)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)NCC[NH+](C)C)NC(=O)C

InChI

InChI=1S/C19H31N3O2S/c1-5-6-7-16-8-10-17(11-9-16)25-14-18(21-15(2)23)19(24)20-12-13-22(3)4/h8-11,18H,5-7,12-14H2,1-4H3,(H,20,24)(H,21,23)/p+1/t18-/m1/s1