4-(azepan-1-ium-1-ylmethyl)-5-methyl-thiophene-2-carbaldehyde

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-5-methyl-thiophene-2-carbaldehyde Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-5-methyl-thiophene-2-carbaldehyde CAS Name: 4-(1-azepan-1-iumylmethyl)-5-methyl-2-thiophenecarboxaldehyde IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-5-methylthiophene-2-carbaldehyde Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-5-methyl-thiophene-2-carbaldehyde Formula: C13H20NOS+ MolecularWeight: 238.369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C=O)C[NH+]2CCCCCC2

Isomeric SMILES

CC1=C(C=C(S1)C=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C13H19NOS/c1-11-12(8-13(10-15)16-11)9-14-6-4-2-3-5-7-14/h8,10H,2-7,9H2,1H3/p+1