2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde

Systemtic Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde Openeye Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde CAS Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde IUPAC Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde Traditional Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC=CC=C2C=O

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC=CC=C2C=O

InChI

InChI=1S/C13H18N2O/c1-14-7-4-8-15(10-9-14)13-6-3-2-5-12(13)11-16/h2-3,5-6,11H,4,7-10H2,1H3/p+1