2-[[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-3-[(9-ethyl-3-carbazolyl)thio]-1-oxopropyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-[(9-ethylcarbazol-3-yl)thio]propanoyl]amino]ethyl-diethyl-ammonium Formula: C25H35N4O2S+ MolecularWeight: 455.636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)NCC[NH+](CC)CC)NC(=O)C)C3=CC=CC=C31

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)NCC[NH+](CC)CC)NC(=O)C)C3=CC=CC=C31

InChI

InChI=1S/C25H34N4O2S/c1-5-28(6-2)15-14-26-25(31)22(27-18(4)30)17-32-19-12-13-24-21(16-19)20-10-8-9-11-23(20)29(24)7-3/h8-13,16,22H,5-7,14-15,17H2,1-4H3,(H,26,31)(H,27,30)/p+1/t22-/m1/s1