5-piperazin-4-ium-1-ylthiophene-2-carbaldehyde

Systemtic Name: 5-piperazin-4-ium-1-ylthiophene-2-carbaldehyde Openeye Name: 5-piperazin-4-ium-1-ylthiophene-2-carbaldehyde CAS Name: 5-(1-piperazin-4-iumyl)-2-thiophenecarboxaldehyde IUPAC Name: 5-piperazin-4-ium-1-ylthiophene-2-carbaldehyde Traditional Name: 5-piperazin-4-ium-1-ylthiophene-2-carbaldehyde Formula: C9H13N2OS+ MolecularWeight: 197.27732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(S2)C=O

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(S2)C=O

InChI

InChI=1S/C9H12N2OS/c12-7-8-1-2-9(13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2/p+1