4-tert-butyl-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium

Systemtic Name: 4-tert-butyl-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium Openeye Name: 1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-4-tert-butyl-piperidin-1-ium CAS Name: 4-tert-butyl-1-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]piperidin-1-ium IUPAC Name: 4-tert-butyl-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-1-ium Traditional Name: 1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-4-tert-butyl-piperidin-1-ium Formula: C17H30N3+ MolecularWeight: 276.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(CC2)C(C)(C)C)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)C(C)(C)C)CC=C

InChI

InChI=1S/C17H29N3/c1-6-9-20-13-15(14(2)18-20)12-19-10-7-16(8-11-19)17(3,4)5/h6,13,16H,1,7-12H2,2-5H3/p+1