[4-(cyclopentylmethyl)piperazin-4-ium-1-yl]-(2-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-(cyclopentylmethyl)piperazin-4-ium-1-yl]-(2-pyrazol-1-ylphenyl)methanone Openeye Name: [4-(cyclopentylmethyl)piperazin-4-ium-1-yl]-(2-pyrazol-1-ylphenyl)methanone CAS Name: [4-(cyclopentylmethyl)-1-piperazin-4-iumyl]-[2-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(cyclopentylmethyl)piperazin-4-ium-1-yl]-(2-pyrazol-1-ylphenyl)methanone Traditional Name: [4-(cyclopentylmethyl)piperazin-4-ium-1-yl]-(2-pyrazol-1-ylphenyl)methanone Formula: C20H27N4O+ MolecularWeight: 339.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

C1CCC(C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3N4C=CC=N4

InChI

InChI=1S/C20H26N4O/c25-20(18-8-3-4-9-19(18)24-11-5-10-21-24)23-14-12-22(13-15-23)16-17-6-1-2-7-17/h3-5,8-11,17H,1-2,6-7,12-16H2/p+1