1-[(2-methyl-5-propan-2-yl-pyrazol-3-yl)methyl]-4-pyridin-3-yl-piperazin-1-ium

Systemtic Name: 1-[(2-methyl-5-propan-2-yl-pyrazol-3-yl)methyl]-4-pyridin-3-yl-piperazin-1-ium Openeye Name: 1-[(5-isopropyl-2-methyl-pyrazol-3-yl)methyl]-4-(3-pyridyl)piperazin-1-ium CAS Name: 1-[(2-methyl-5-propan-2-yl-3-pyrazolyl)methyl]-4-(3-pyridinyl)piperazin-1-ium IUPAC Name: 1-[(2-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-pyridin-3-ylpiperazin-1-ium Traditional Name: 1-[(5-isopropyl-2-methyl-pyrazol-3-yl)methyl]-4-(3-pyridyl)piperazin-1-ium Formula: C17H26N5+ MolecularWeight: 300.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)C[NH+]2CCN(CC2)C3=CN=CC=C3)C

Isomeric SMILES

CC(C)C1=NN(C(=C1)C[NH+]2CCN(CC2)C3=CN=CC=C3)C

InChI

InChI=1S/C17H25N5/c1-14(2)17-11-16(20(3)19-17)13-21-7-9-22(10-8-21)15-5-4-6-18-12-15/h4-6,11-12,14H,7-10,13H2,1-3H3/p+1