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

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine Openeye Name: (E)-N-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-imine CAS Name: (E)-3-(2-methoxyphenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-imine IUPAC Name: (E)-N-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-imine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amine Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC=NN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C=N/N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c1-25-21-12-6-5-10-20(21)11-7-13-22-24-16-14-23(15-17-24)18-19-8-3-2-4-9-19/h2-13H,14-18H2,1H3/p+1/b11-7+,22-13+