(3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(2S)-2-phenylpropyl]piperidin-1-ium

Systemtic Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(2S)-2-phenylpropyl]piperidin-1-ium Openeye Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(2S)-2-phenylpropyl]piperidin-1-ium CAS Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(2S)-2-phenylpropyl]piperidin-1-ium IUPAC Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(2S)-2-phenylpropyl]piperidin-1-ium Traditional Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(2S)-2-phenylpropyl]piperidin-1-ium Formula: C19H28N3+ MolecularWeight: 298.44572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3/c1-3-16-12-20-21-19(16)18-10-7-11-22(14-18)13-15(2)17-8-5-4-6-9-17/h4-6,8-9,12,15,18H,3,7,10-11,13-14H2,1-2H3,(H,20,21)/p+1/t15-,18+/m1/s1