(2R)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-])CCC5=CC=NC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-])CCC5=CC=NC=C5

InChI

InChI=1S/C28H29N5O3/c34-27(21-4-2-1-3-5-21)31-22-6-7-25-23(18-22)24(19-30-25)26(28(35)36)33-16-14-32(15-17-33)13-10-20-8-11-29-12-9-20/h1-9,11-12,18-19,26,30H,10,13-17H2,(H,31,34)(H,35,36)/t26-/m1/s1