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

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(2-ethoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(2-ethoxybenzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C18H25N3O+2 MolecularWeight: 299.4106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O/c1-2-22-17-8-4-3-7-16(17)15-20-11-13-21(14-12-20)18-9-5-6-10-19-18/h3-10H,2,11-15H2,1H3/p+2