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

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-(4-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(4-ethoxybenzyl)-4-(pyridin-1-ium-4-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=CC=[NH+]C=C3

Isomeric SMILES

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

InChI

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