[2-[(4-chloranylphenoxy)methyl]pyrazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-[(4-chloranylphenoxy)methyl]pyrazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-[(4-chlorophenoxy)methyl]-3-pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H21ClN5O2+ MolecularWeight: 398.86604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=NN3COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=NN3COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5O2/c21-16-4-6-17(7-5-16)28-15-26-18(8-10-23-26)20(27)25-13-11-24(12-14-25)19-3-1-2-9-22-19/h1-10H,11-15H2/p+1