(2R)-2-(6-benzamido-1H-indol-3-yl)-2-(4-methanoylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2R)-2-(6-benzamido-1H-indol-3-yl)-2-(4-methanoylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2R)-2-(6-benzamido-1H-indol-3-yl)-2-(4-formylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-(6-benzamido-1H-indol-3-yl)-2-(4-formyl-1-piperazin-1-iumyl)acetate IUPAC Name: (2R)-2-(6-benzamido-1H-indol-3-yl)-2-(4-formylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(6-benzamido-1H-indol-3-yl)-2-(4-formylpiperazin-1-ium-1-yl)acetate Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-])C=O

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-])C=O

InChI

InChI=1S/C22H22N4O4/c27-14-25-8-10-26(11-9-25)20(22(29)30)18-13-23-19-12-16(6-7-17(18)19)24-21(28)15-4-2-1-3-5-15/h1-7,12-14,20,23H,8-11H2,(H,24,28)(H,29,30)/t20-/m1/s1