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

Systemtic Name: 2-[[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-propanoyl]-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-propanoyl]-benzyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-3-[(9-ethyl-3-carbazolyl)thio]-1-oxopropyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanylpropanoyl]-benzylamino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-[(9-ethylcarbazol-3-yl)thio]propanoyl]-benzyl-amino]ethyl-dimethyl-ammonium Formula: C30H37N4O2S+ MolecularWeight: 517.70538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3)NC(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3)NC(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C30H36N4O2S/c1-5-34-28-14-10-9-13-25(28)26-19-24(15-16-29(26)34)37-21-27(31-22(2)35)30(36)33(18-17-32(3)4)20-23-11-7-6-8-12-23/h6-16,19,27H,5,17-18,20-21H2,1-4H3,(H,31,35)/p+1/t27-/m1/s1