5-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde

Systemtic Name: 5-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde Openeye Name: 5-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde CAS Name: 5-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde IUPAC Name: 5-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde Traditional Name: 5-(2-methoxyphenyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzaldehyde Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)C3=CC=CC=C3OC)C=O

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)C3=CC=CC=C3OC)C=O

InChI

InChI=1S/C20H24N2O2/c1-21-10-5-11-22(13-12-21)19-9-8-16(14-17(19)15-23)18-6-3-4-7-20(18)24-2/h3-4,6-9,14-15H,5,10-13H2,1-2H3/p+1