(3-methylthiophen-2-yl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methylthiophen-2-yl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-methyl-2-thienyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-methyl-2-thiophenyl)-[(3S)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methylthiophen-2-yl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-methyl-2-thienyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CCCN3C=CC=N3

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CCCN3C=CC=N3

InChI

InChI=1S/C17H23N3OS/c1-14-6-12-22-17(14)16(21)15-5-2-8-19(13-15)9-4-11-20-10-3-7-18-20/h3,6-7,10,12,15H,2,4-5,8-9,11,13H2,1H3/p+1/t15-/m0/s1