4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzaldehyde

Systemtic Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzaldehyde Openeye Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzaldehyde CAS Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzaldehyde IUPAC Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzaldehyde Traditional Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzaldehyde Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC=C(C=C2)C=O

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC=C(C=C2)C=O

InChI

InChI=1S/C14H20N2O/c1-15-7-2-8-16(10-9-15)11-13-3-5-14(12-17)6-4-13/h3-6,12H,2,7-11H2,1H3/p+1