2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-isopropyl-6-methyl-phenyl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-isopropyl-6-methyl-phenyl)acetamide Formula: C21H30ClN3OS+2 MolecularWeight: 408.0004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C21H28ClN3OS/c1-15(2)18-6-4-5-16(3)21(18)23-20(26)14-25-11-9-24(10-12-25)13-17-7-8-19(22)27-17/h4-8,15H,9-14H2,1-3H3,(H,23,26)/p+2