cyclohexyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate

Systemtic Name: cyclohexyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate Openeye Name: cyclohexyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propionic acid cyclohexyl ester Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4CCCCC4

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4CCCCC4

InChI

InChI=1S/C24H27N3O3/c1-27-13-7-8-17(16-27)23(28)26-22(24(29)30-19-9-3-2-4-10-19)14-18-15-25-21-12-6-5-11-20(18)21/h5-8,11-13,15-16,19,22,25H,2-4,9-10,14H2,1H3/p+1