2-[(3S,5S)-5-methylheptan-3-yl]-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-[(3S,5S)-5-methylheptan-3-yl]-1H-pyrazol-2-ium-3-amine Openeye Name: 2-[(1S,3S)-1-ethyl-3-methyl-pentyl]-1H-pyrazol-2-ium-3-amine CAS Name: 2-[(3S,5S)-5-methylheptan-3-yl]-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-[(3S,5S)-5-methylheptan-3-yl]-1H-pyrazol-2-ium-3-amine Traditional Name: [2-[(1S,3S)-1-ethyl-3-methyl-pentyl]-1H-pyrazol-2-ium-3-yl]amine Formula: C11H22N3+ MolecularWeight: 196.31248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[N+]1=C(C=CN1)N

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[N+]1=C(C=CN1)N

InChI

InChI=1S/C11H21N3/c1-4-9(3)8-10(5-2)14-11(12)6-7-13-14/h6-7,9-10H,4-5,8H2,1-3H3,(H2,12,13)/p+1/t9-,10-/m0/s1