2-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-pyridin-1-ium-3-carbaldehyde

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-pyridin-1-ium-3-carbaldehyde Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-pyridin-1-ium-3-carbaldehyde CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-5-phenyl-3-pyridin-1-iumcarboxaldehyde IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-phenylpyridin-1-ium-3-carbaldehyde Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-pyridin-1-ium-3-carbaldehyde Formula: C18H23N3O+2 MolecularWeight: 297.39472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=[NH+]2)C3=CC=CC=C3)C=O

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=[NH+]2)C3=CC=CC=C3)C=O

InChI

InChI=1S/C18H21N3O/c1-2-20-8-10-21(11-9-20)18-17(14-22)12-16(13-19-18)15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3/p+2