N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-propoxyphenyl)methanimine

Systemtic Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-propoxyphenyl)methanimine Openeye Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-propoxyphenyl)methanimine CAS Name: N-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(4-propoxyphenyl)methanimine IUPAC Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-propoxyphenyl)methanimine Traditional Name: (Z)-[4-(2-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=CC=C3Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N\N2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

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