N-(3-bromanyl-4-methyl-phenyl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-bromo-4-methylphenyl)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-bromo-4-methylphenyl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27BrN3O+ MolecularWeight: 417.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3C)Br

InChI

InChI=1S/C21H26BrN3O/c1-16-7-8-18(15-19(16)22)23-21(26)9-10-24-11-13-25(14-12-24)20-6-4-3-5-17(20)2/h3-8,15H,9-14H2,1-2H3,(H,23,26)/p+1