[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-benzylpyrazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-benzylpyrazol-4-yl)methanone Traditional Name: (1-benzylpyrazol-4-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C23H25N4O3+ MolecularWeight: 405.4696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N4O3/c28-23(20-13-24-27(16-20)15-18-4-2-1-3-5-18)26-10-8-25(9-11-26)14-19-6-7-21-22(12-19)30-17-29-21/h1-7,12-13,16H,8-11,14-15,17H2/p+1