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

Systemtic Name: 1-[(4-phenylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(4-phenylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(4-phenylphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(4-phenylphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(4-phenylbenzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C22H25N3+2 MolecularWeight: 331.454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H23N3/c1-2-6-20(7-3-1)21-11-9-19(10-12-21)18-24-14-16-25(17-15-24)22-8-4-5-13-23-22/h1-13H,14-18H2/p+2