1-[4-[4-[(5-ethanoyl-2-ethoxy-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-ethanoyl-2-ethoxy-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(5-acetyl-2-ethoxy-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(5-acetyl-2-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5-acetyl-2-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(5-acetyl-2-ethoxy-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C23H29N2O3+ MolecularWeight: 381.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-4-28-23-10-7-20(18(3)27)15-21(23)16-24-11-13-25(14-12-24)22-8-5-19(6-9-22)17(2)26/h5-10,15H,4,11-14,16H2,1-3H3/p+1