4-[(5-bromanylthiophen-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-m-anisyl-piperazin-4-ium-1-carboxamide Formula: C18H23BrN3O2S+ MolecularWeight: 425.36312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H22BrN3O2S/c1-24-15-4-2-3-14(11-15)12-20-18(23)22-9-7-21(8-10-22)13-16-5-6-17(19)25-16/h2-6,11H,7-10,12-13H2,1H3,(H,20,23)/p+1