1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(E)-3-(2-methoxyphenyl)allyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(E)-3-(2-methoxyphenyl)allyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C19H25N3O+2 MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23N3O/c1-23-18-9-3-2-7-17(18)8-6-12-21-13-15-22(16-14-21)19-10-4-5-11-20-19/h2-11H,12-16H2,1H3/p+2/b8-6+