N-(4-bromanyl-3-methyl-phenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-bromo-3-methyl-phenyl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-bromo-3-methylphenyl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-bromo-3-methyl-phenyl)propionamide Formula: C21H28BrN3O+2 MolecularWeight: 418.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H26BrN3O/c1-17-15-19(7-8-20(17)22)23-21(26)9-10-24-11-13-25(14-12-24)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,23,26)/p+2