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

Systemtic Name: N-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-(4-propoxyphenyl)methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-propoxyphenyl)methanimine CAS Name: N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-(4-propoxyphenyl)methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-propoxyphenyl)methanimine Traditional Name: (Z)-(4-benzylpiperazin-4-ium-1-yl)-(4-propoxybenzylidene)amine Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-2-16-25-21-10-8-19(9-11-21)17-22-24-14-12-23(13-15-24)18-20-6-4-3-5-7-20/h3-11,17H,2,12-16,18H2,1H3/p+1/b22-17-