4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-3-nitro-benzaldehyde Formula: C18H19ClN3O3+ MolecularWeight: 360.81476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O3/c19-16-3-1-2-14(10-16)12-20-6-8-21(9-7-20)17-5-4-15(13-23)11-18(17)22(24)25/h1-5,10-11,13H,6-9,12H2/p+1