[5-methyl-1-(phenylmethyl)-3-propyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-methyl-1-(phenylmethyl)-3-propyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (1-benzyl-5-methyl-3-propyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-methyl-1-(phenylmethyl)-3-propyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-5-methyl-3-propyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)C)C)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O/c1-4-8-18-19(20(25)23-13-11-22(3)12-14-23)16(2)24(21-18)15-17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-15H2,1-3H3/p+1