N-(4-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-bromophenyl)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H24BrN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-20(25)22-17-8-6-16(21)7-9-17/h2-9H,10-15H2,1H3,(H,22,25)/p+1