N-(3-bromanyl-4-methyl-phenyl)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-bromo-4-methylphenyl)-3-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-bromo-4-methylphenyl)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H24BrClN3O+ MolecularWeight: 437.78106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrClN3O/c1-15-2-5-17(14-19(15)21)23-20(26)8-9-24-10-12-25(13-11-24)18-6-3-16(22)4-7-18/h2-7,14H,8-13H2,1H3,(H,23,26)/p+1