(3S)-1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: (3S)-1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-[(3-methyl-2-thienyl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-[(3-methyl-2-thiophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-[(3-methyl-2-thienyl)methyl]-3-(1H-pyrazol-5-yl)piperidin-1-ium Formula: C14H20N3S+ MolecularWeight: 262.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCCC(C2)C3=CC=NN3

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC[C@@H](C2)C3=CC=NN3

InChI

InChI=1S/C14H19N3S/c1-11-5-8-18-14(11)10-17-7-2-3-12(9-17)13-4-6-15-16-13/h4-6,8,12H,2-3,7,9-10H2,1H3,(H,15,16)/p+1/t12-/m0/s1