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

Systemtic Name: (3S)-1-[(2S)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-3-(4-isopropyl-1H-pyrazol-5-yl)-1-[(2S)-2-phenylpropyl]piperidin-1-ium CAS Name: (3S)-1-[(2S)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-[(2S)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-3-(4-isopropyl-1H-pyrazol-5-yl)-1-[(2S)-2-phenylpropyl]piperidin-1-ium Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C[NH+]1CCC[C@@H](C1)C2=C(C=NN2)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H29N3/c1-15(2)19-12-21-22-20(19)18-10-7-11-23(14-18)13-16(3)17-8-5-4-6-9-17/h4-6,8-9,12,15-16,18H,7,10-11,13-14H2,1-3H3,(H,21,22)/p+1/t16-,18+/m1/s1