1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(2-allyloxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(2-prop-2-enoxyphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(2-allyloxybenzyl)-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:

C=CCOC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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