(3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-(3-phenylpropyl)piperidin-1-ium

Systemtic Name: (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-(3-phenylpropyl)piperidin-1-ium Openeye Name: (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-(3-phenylpropyl)piperidin-1-ium CAS Name: (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-(3-phenylpropyl)piperidin-1-ium IUPAC Name: (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-(3-phenylpropyl)piperidin-1-ium Traditional Name: (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-(3-phenylpropyl)piperidin-1-ium Formula: C18H26N3+ MolecularWeight: 284.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1)C2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(NN=C1)[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H25N3/c1-15-13-19-20-18(15)17-10-6-12-21(14-17)11-5-9-16-7-3-2-4-8-16/h2-4,7-8,13,17H,5-6,9-12,14H2,1H3,(H,19,20)/p+1/t17-/m0/s1