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

Systemtic Name: [3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H27N5O/c1-18-22(19(2)28(25-18)17-20-6-4-3-5-7-20)23(29)27-14-12-26(13-15-27)16-21-8-10-24-11-9-21/h3-11H,12-17H2,1-2H3/p+1