6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carbaldehyde

Systemtic Name: 6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carbaldehyde Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carbaldehyde CAS Name: 6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumcarboxaldehyde IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carbaldehyde Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carbaldehyde Formula: C17H21N3O+2 MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O/c21-14-16-6-7-17(18-12-16)20-10-8-19(9-11-20)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2/p+2