1-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[4-(4-chlorobenzyl)oxy-3-methoxy-benzyl]-4-ethyl-piperazine-1,4-diium Formula: C21H29ClN2O2+2 MolecularWeight: 376.92016

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H27ClN2O2/c1-3-23-10-12-24(13-11-23)15-18-6-9-20(21(14-18)25-2)26-16-17-4-7-19(22)8-5-17/h4-9,14H,3,10-13,15-16H2,1-2H3/p+2