1-[4-[4-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-ethoxy-4-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-ethoxy-4-hydroxy-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)O

InChI

InChI=1S/C21H26N2O3/c1-3-26-21-14-17(4-9-20(21)25)15-22-10-12-23(13-11-22)19-7-5-18(6-8-19)16(2)24/h4-9,14,25H,3,10-13,15H2,1-2H3/p+1