[(1R,2S,3S)-3-methyl-1-(1-methylpyrazol-4-yl)-2-phenyl-pentyl]azanium

Systemtic Name: [(1R,2S,3S)-3-methyl-1-(1-methylpyrazol-4-yl)-2-phenyl-pentyl]azanium Openeye Name: [(1R,2S,3S)-3-methyl-1-(1-methylpyrazol-4-yl)-2-phenyl-pentyl]ammonium CAS Name: [(1R,2S,3S)-3-methyl-1-(1-methyl-4-pyrazolyl)-2-phenylpentyl]ammonium IUPAC Name: [(1R,2S,3S)-3-methyl-1-(1-methylpyrazol-4-yl)-2-phenylpentyl]azanium Traditional Name: [(1R,2S,3S)-3-methyl-1-(1-methylpyrazol-4-yl)-2-phenyl-pentyl]ammonium Formula: C16H24N3+ MolecularWeight: 258.38186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(C2=CN(N=C2)C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C1=CC=CC=C1)[C@H](C2=CN(N=C2)C)[NH3+]

InChI

InChI=1S/C16H23N3/c1-4-12(2)15(13-8-6-5-7-9-13)16(17)14-10-18-19(3)11-14/h5-12,15-16H,4,17H2,1-3H3/p+1/t12-,15-,16-/m0/s1