2-[[(3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)NCC[NH+](C)C)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CC(=O)NCC[NH+](C)C)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C25H33N3O/c1-25(2,3)19-12-10-18(11-13-19)21(16-24(29)26-14-15-28(4)5)22-17-27-23-9-7-6-8-20(22)23/h6-13,17,21,27H,14-16H2,1-5H3,(H,26,29)/p+1/t21-/m0/s1