2-[4-[(4-bromophenyl)methyl]piperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[(4-bromophenyl)methyl]piperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[(4-bromophenyl)methyl]piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[(4-bromophenyl)methyl]-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-[(4-bromophenyl)methyl]piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[4-(4-bromobenzyl)piperazin-1-ium-1-yl]-N-butyl-acetamide Formula: C17H27BrN3O+ MolecularWeight: 369.31978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H26BrN3O/c1-2-3-8-19-17(22)14-21-11-9-20(10-12-21)13-15-4-6-16(18)7-5-15/h4-7H,2-3,8-14H2,1H3,(H,19,22)/p+1