butyl-bis[(2R)-2-oxidanyl-3-pyrazol-1-yl-propyl]azanium

Systemtic Name: butyl-bis[(2R)-2-oxidanyl-3-pyrazol-1-yl-propyl]azanium Openeye Name: butyl-bis[(2R)-2-hydroxy-3-pyrazol-1-yl-propyl]ammonium CAS Name: butyl-bis[(2R)-2-hydroxy-3-(1-pyrazolyl)propyl]ammonium IUPAC Name: butyl-bis[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]azanium Traditional Name: butyl-bis[(2R)-2-hydroxy-3-pyrazol-1-yl-propyl]ammonium Formula: C16H28N5O2+ MolecularWeight: 322.42582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC(CN1C=CC=N1)O)CC(CN2C=CC=N2)O

Isomeric SMILES

CCCC[NH+](C[C@H](CN1C=CC=N1)O)C[C@H](CN2C=CC=N2)O

InChI

InChI=1S/C16H27N5O2/c1-2-3-8-19(11-15(22)13-20-9-4-6-17-20)12-16(23)14-21-10-5-7-18-21/h4-7,9-10,15-16,22-23H,2-3,8,11-14H2,1H3/p+1/t15-,16-/m1/s1