(4-methylpiperazin-4-ium-1-yl)-(1-phenyl-5-propan-2-yl-3-propyl-pyrazol-4-yl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(1-phenyl-5-propan-2-yl-3-propyl-pyrazol-4-yl)methanone Openeye Name: (5-isopropyl-1-phenyl-3-propyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-(1-phenyl-5-propan-2-yl-3-propyl-4-pyrazolyl)methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(1-phenyl-5-propan-2-yl-3-propylpyrazol-4-yl)methanone Traditional Name: (5-isopropyl-1-phenyl-3-propyl-pyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O/c1-5-9-18-19(21(26)24-14-12-23(4)13-15-24)20(16(2)3)25(22-18)17-10-7-6-8-11-17/h6-8,10-11,16H,5,9,12-15H2,1-4H3/p+1