2-[4-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C19H27BrN3O2+ MolecularWeight: 409.34058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC(=O)NC(C)C)Br

InChI

InChI=1S/C19H26BrN3O2/c1-14(2)21-18(24)13-22-8-10-23(11-9-22)19(25)7-6-16-5-4-15(3)12-17(16)20/h4-7,12,14H,8-11,13H2,1-3H3,(H,21,24)/p+1/b7-6+