2-[[(3R)-3-(1-ethylindol-3-yl)-3-(3-methylphenyl)propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-3-(1-ethylindol-3-yl)-3-(3-methylphenyl)propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-3-(1-ethylindol-3-yl)-3-(m-tolyl)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-3-(1-ethyl-3-indolyl)-3-(3-methylphenyl)-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-3-(1-ethylindol-3-yl)-3-(3-methylphenyl)propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-3-(1-ethylindol-3-yl)-3-(m-tolyl)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(CC(=O)NCC[NH+](C)C)C3=CC=CC(=C3)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)[C@H](CC(=O)NCC[NH+](C)C)C3=CC=CC(=C3)C

InChI

InChI=1S/C24H31N3O/c1-5-27-17-22(20-11-6-7-12-23(20)27)21(19-10-8-9-18(2)15-19)16-24(28)25-13-14-26(3)4/h6-12,15,17,21H,5,13-14,16H2,1-4H3,(H,25,28)/p+1/t21-/m1/s1