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

Systemtic Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-cyanoethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]acetate Formula: C24H25N5O3 MolecularWeight: 431.487

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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-])CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O3/c25-9-4-10-28-11-13-29(14-12-28)22(24(31)32)20-16-26-21-8-7-18(15-19(20)21)27-23(30)17-5-2-1-3-6-17/h1-3,5-8,15-16,22,26H,4,10-14H2,(H,27,30)(H,31,32)/t22-/m1/s1