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

Systemtic Name: 1-[(2,4-dimethylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(2,4-dimethylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(2,4-dimethylphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2,4-dimethylphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(2,4-dimethylbenzyl)-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:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

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