(4-methylpiperazin-4-ium-1-yl)-[1-(phenylmethyl)-5-propyl-pyrazol-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[1-(phenylmethyl)-5-propyl-pyrazol-4-yl]methanone Openeye Name: (1-benzyl-5-propyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[1-(phenylmethyl)-5-propyl-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-5-propylpyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-5-propyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C19H27N4O+ MolecularWeight: 327.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1CC2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCC1=C(C=NN1CC2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H26N4O/c1-3-7-18-17(19(24)22-12-10-21(2)11-13-22)14-20-23(18)15-16-8-5-4-6-9-16/h4-6,8-9,14H,3,7,10-13,15H2,1-2H3/p+1