N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-ethoxy-3-methoxy-phenyl)methanimine

Systemtic Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-ethoxy-3-methoxy-phenyl)methanimine Openeye Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-ethoxy-3-methoxy-phenyl)methanimine CAS Name: N-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(4-ethoxy-3-methoxyphenyl)methanimine IUPAC Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-ethoxy-3-methoxyphenyl)methanimine Traditional Name: (Z)-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-(4-ethoxy-3-methoxy-benzylidene)amine Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NN2CC[NH+](CC2)CC3=CC=CC=C3Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=N\N2CC[NH+](CC2)CC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C21H26ClN3O2/c1-3-27-20-9-8-17(14-21(20)26-2)15-23-25-12-10-24(11-13-25)16-18-6-4-5-7-19(18)22/h4-9,14-15H,3,10-13,16H2,1-2H3/p+1/b23-15-