2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(cyclohexylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(cyclohexylcarbamoyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(cyclohexylcarbamoyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(cyclohexylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(cyclohexylcarbamoyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazine-1,4-diium-1-yl]-N-(cyclohexylcarbamoyl)acetamide Formula: C21H31N5O2+2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H29N5O2/c22-14-17-6-8-18(9-7-17)15-25-10-12-26(13-11-25)16-20(27)24-21(28)23-19-4-2-1-3-5-19/h6-9,19H,1-5,10-13,15-16H2,(H2,23,24,27,28)/p+2