2-(3-nitrophenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 2-(3-nitrophenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3-nitrophenyl)quinazoline CAS Name: 2-(3-nitrophenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3-nitrophenyl)quinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3-nitrophenyl)quinazoline Formula: C25H24N5O2+ MolecularWeight: 426.49036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O2/c31-30(32)21-10-6-9-20(17-21)24-26-23-12-5-4-11-22(23)25(27-24)29-15-13-28(14-16-29)18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2/p+1