3-nitro-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 3-nitro-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 3-nitro-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzaldehyde CAS Name: 3-nitro-4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 3-nitro-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 3-nitro-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]benzaldehyde Formula: C19H22N3O4+ MolecularWeight: 356.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4/c23-15-16-6-7-18(19(14-16)22(24)25)21-10-8-20(9-11-21)12-13-26-17-4-2-1-3-5-17/h1-7,14-15H,8-13H2/p+1