2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1H-indol-4-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1H-indol-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-(1H-indol-4-ylmethyl)acetamide CAS Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-(1H-indol-4-ylmethyl)acetamide IUPAC Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-(1H-indol-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]-N-(1H-indol-4-ylmethyl)acetamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=C4C=CNC4=CC=C3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=C4C=CNC4=CC=C3

InChI

InChI=1S/C22H30N4O2/c27-21(25-14-17-7-4-8-19-18(17)9-10-23-19)13-20-22(28)24-11-12-26(20)15-16-5-2-1-3-6-16/h4,7-10,16,20,23H,1-3,5-6,11-15H2,(H,24,28)(H,25,27)/p+1/t20-/m1/s1