4-(4-propan-2-ylpiperazin-4-ium-1-yl)benzaldehyde

Systemtic Name: 4-(4-propan-2-ylpiperazin-4-ium-1-yl)benzaldehyde Openeye Name: 4-(4-isopropylpiperazin-4-ium-1-yl)benzaldehyde CAS Name: 4-(4-propan-2-yl-1-piperazin-4-iumyl)benzaldehyde IUPAC Name: 4-(4-propan-2-ylpiperazin-4-ium-1-yl)benzaldehyde Traditional Name: 4-(4-isopropylpiperazin-4-ium-1-yl)benzaldehyde Formula: C14H21N2O+ MolecularWeight: 233.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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