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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-4-methoxy-benzaldehyde Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-4-methoxy-benzaldehyde CAS Name: 3-(1-azepan-1-iumylmethyl)-4-methoxybenzaldehyde IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-4-methoxybenzaldehyde Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-4-methoxy-benzaldehyde Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)C[NH+]2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C15H21NO2/c1-18-15-7-6-13(12-17)10-14(15)11-16-8-4-2-3-5-9-16/h6-7,10,12H,2-5,8-9,11H2,1H3/p+1