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

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(4-ethylphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(4-ethylbenzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C18H25N3+2 MolecularWeight: 283.4112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H23N3/c1-2-16-6-8-17(9-7-16)15-20-11-13-21(14-12-20)18-5-3-4-10-19-18/h3-10H,2,11-15H2,1H3/p+2