2-chloranyl-4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]aniline

Systemtic Name: 2-chloranyl-4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]aniline Openeye Name: 2-chloro-4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]aniline CAS Name: 2-chloro-4-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]aniline IUPAC Name: 2-chloro-4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]aniline Traditional Name: (2-chloro-4-nitro-phenyl)-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]amine Formula: C17H22ClN6O2+ MolecularWeight: 377.84858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=NC=CC=N3

InChI

InChI=1S/C17H21ClN6O2/c18-15-13-14(24(25)26)3-4-16(15)19-7-2-8-22-9-11-23(12-10-22)17-20-5-1-6-21-17/h1,3-6,13,19H,2,7-12H2/p+1