(3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium

Systemtic Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium Openeye Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium CAS Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium IUPAC Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium Traditional Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium Formula: C20H28N3+ MolecularWeight: 310.45642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN=C1)C2CCC[NH+](C2)CC(=CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(NN=C1)[C@H]2CCC[NH+](C2)C/C(=C/C3=CC=CC=C3)/C

InChI

InChI=1S/C20H27N3/c1-3-18-13-21-22-20(18)19-10-7-11-23(15-19)14-16(2)12-17-8-5-4-6-9-17/h4-6,8-9,12-13,19H,3,7,10-11,14-15H2,1-2H3,(H,21,22)/p+1/b16-12+/t19-/m0/s1