1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(E)-3-(2-methoxyphenyl)allyl]piperazine-1,4-diium CAS Name: 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(E)-3-(2-methoxyphenyl)allyl]piperazine-1,4-diium Formula: C21H28N2O+2 MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O/c1-24-21-12-6-5-10-20(21)11-7-13-22-14-16-23(17-15-22)18-19-8-3-2-4-9-19/h2-12H,13-18H2,1H3/p+2/b11-7+