N-(4-bromanyl-3-methyl-phenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(4-ethyl-1-piperazine-1,4-diiumyl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)propionamide Formula: C16H26BrN3O+2 MolecularWeight: 356.30114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCC(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C16H24BrN3O/c1-3-19-8-10-20(11-9-19)7-6-16(21)18-14-4-5-15(17)13(2)12-14/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)/p+2