N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[4-(4-chlorobenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H27ClN4O2+2 MolecularWeight: 402.91768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-16(27)23-19-6-8-20(9-7-19)24-21(28)15-26-12-10-25(11-13-26)14-17-2-4-18(22)5-3-17/h2-9H,10-15H2,1H3,(H,23,27)(H,24,28)/p+2