2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[4-(3-chlorobenzyl)piperazine-1,4-diium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C21H28ClN3O2+2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-16-6-7-20(27-2)19(12-16)23-21(26)15-25-10-8-24(9-11-25)14-17-4-3-5-18(22)13-17/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)/p+2