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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-ethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethylacetamide Traditional Name: N-benzyl-2-[4-(4-cyanobenzyl)piperazine-1,4-diium-1-yl]-N-ethyl-acetamide Formula: C23H30N4O+2 MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H28N4O/c1-2-27(18-21-6-4-3-5-7-21)23(28)19-26-14-12-25(13-15-26)17-22-10-8-20(16-24)9-11-22/h3-11H,2,12-15,17-19H2,1H3/p+2