4-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(2-bromo-4,5-diethoxy-phenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2-bromo-4,5-diethoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(2-bromo-4,5-diethoxy-benzyl)piperazin-4-ium-2-one Formula: C15H22BrN2O3+ MolecularWeight: 358.25078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C[NH+]2CCNC(=O)C2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C[NH+]2CCNC(=O)C2)Br)OCC

InChI

InChI=1S/C15H21BrN2O3/c1-3-20-13-7-11(12(16)8-14(13)21-4-2)9-18-6-5-17-15(19)10-18/h7-8H,3-6,9-10H2,1-2H3,(H,17,19)/p+1