2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazole-5-carbaldehyde

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-thiazole-5-carbaldehyde Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)thiazole-5-carbaldehyde CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-thiazolecarboxaldehyde IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-1,3-thiazole-5-carbaldehyde Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)thiazole-5-carbaldehyde Formula: C15H18N3OS+ MolecularWeight: 288.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C(S3)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C(S3)C=O

InChI

InChI=1S/C15H17N3OS/c19-12-14-10-16-15(20-14)18-8-6-17(7-9-18)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2/p+1