1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-(2-ethoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Openeye Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(2-ethoxyphenyl)piperazin-1-ium CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(2-ethoxyphenyl)piperazin-1-ium IUPAC Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]-4-o-phenetyl-piperazin-1-ium Formula: C25H28ClN2O2+ MolecularWeight: 423.95502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H27ClN2O2/c1-2-29-25-9-4-3-8-24(25)28-16-14-27(15-17-28)19-20-6-5-7-23(18-20)30-22-12-10-21(26)11-13-22/h3-13,18H,2,14-17,19H2,1H3/p+1