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

Systemtic Name: 2-[[(3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CC(=O)NCC[NH+](C)C)C2=CNC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](CC(=O)NCC[NH+](C)C)C2=CNC3=CC=CC=C32)C

InChI

InChI=1S/C23H29N3O/c1-16-9-10-18(17(2)13-16)20(14-23(27)24-11-12-26(3)4)21-15-25-22-8-6-5-7-19(21)22/h5-10,13,15,20,25H,11-12,14H2,1-4H3,(H,24,27)/p+1/t20-/m0/s1