1-[(4-ethylphenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-ethylphenyl)methyl]-4-(2-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(4-ethylbenzyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Formula: C19H28N3+3 MolecularWeight: 298.44572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=[NH+]3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=[NH+]3

InChI

InChI=1S/C19H25N3/c1-2-17-6-8-18(9-7-17)15-21-11-13-22(14-12-21)16-19-5-3-4-10-20-19/h3-10H,2,11-16H2,1H3/p+3