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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27BrN3O2+ MolecularWeight: 433.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3OC)Br

InChI

InChI=1S/C21H26BrN3O2/c1-16-15-17(7-8-18(16)22)23-21(26)9-10-24-11-13-25(14-12-24)19-5-3-4-6-20(19)27-2/h3-8,15H,9-14H2,1-2H3,(H,23,26)/p+1