4-(azepan-1-ium-1-ylmethyl)benzaldehyde

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)benzaldehyde Openeye Name: 4-(azepan-1-ium-1-ylmethyl)benzaldehyde CAS Name: 4-(1-azepan-1-iumylmethyl)benzaldehyde IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)benzaldehyde Traditional Name: 4-(azepan-1-ium-1-ylmethyl)benzaldehyde Formula: C14H20NO+ MolecularWeight: 218.3147

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(C=C2)C=O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C=C2)C=O

InChI

InChI=1S/C14H19NO/c16-12-14-7-5-13(6-8-14)11-15-9-3-1-2-4-10-15/h5-8,12H,1-4,9-11H2/p+1