(2S)-3-(1H-indol-3-yl)-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]azaniumyl]propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]azaniumyl]propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]ammonio]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]ammonio]propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]azaniumyl]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]ammonio]propionate Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)[NH2+]C(CC4=CNC5=CC=CC=C54)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)[NH2+][C@@H](CC4=CNC5=CC=CC=C54)C(=O)[O-]

InChI

InChI=1S/C24H25N5O2/c30-24(31)21(13-16-14-25-19-9-3-1-7-17(16)19)27-23-18-8-2-4-10-20(18)26-22(28-23)15-29-11-5-6-12-29/h1-4,7-10,14,21,25H,5-6,11-13,15H2,(H,30,31)(H,26,27,28)/p+1/t21-/m0/s1