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

Systemtic Name: N-(2-cyanophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-cyanophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-cyanophenyl)-2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C23H30N4O+2 MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C#N

InChI

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