2-phenyl-1-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-phenyl-1-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-phenyl-1-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-phenyl-1-[4-(4-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-phenyl-1-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-phenyl-1-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C18H23N3O+2 MolecularWeight: 297.39472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=[NH+]C=C2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=[NH+]C=C2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O/c22-18(14-16-4-2-1-3-5-16)21-12-10-20(11-13-21)15-17-6-8-19-9-7-17/h1-9H,10-15H2/p+2