1-[(4-ethoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(4-ethoxybenzyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Formula: C19H28N3O+3 MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=C[NH+]=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=C[NH+]=CC=C3

InChI

InChI=1S/C19H25N3O/c1-2-23-19-7-5-17(6-8-19)15-21-10-12-22(13-11-21)16-18-4-3-9-20-14-18/h3-9,14H,2,10-13,15-16H2,1H3/p+3