N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-propoxyphenyl)methanimine

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-propoxyphenyl)methanimine Openeye Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-propoxyphenyl)methanimine CAS Name: N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(4-propoxyphenyl)methanimine IUPAC Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-propoxyphenyl)methanimine Traditional Name: (Z)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-(4-propoxybenzylidene)amine Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NN2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N\N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O/c1-2-15-26-21-9-5-18(6-10-21)16-23-25-13-11-24(12-14-25)17-19-3-7-20(22)8-4-19/h3-10,16H,2,11-15,17H2,1H3/p+1/b23-16-