(E)-3-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine Openeye Name: (E)-3-(2-methoxyphenyl)-N-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine CAS Name: (E)-3-(2-methoxyphenyl)-N-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-imine IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine Traditional Name: (Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]amine Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC=NN2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1/C=C/C=N\N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H27N3O/c1-29-25-14-5-3-9-22(25)12-7-15-26-28-18-16-27(17-19-28)20-23-11-6-10-21-8-2-4-13-24(21)23/h2-15H,16-20H2,1H3/p+1/b12-7+,26-15-