[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)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)CC3=CN(N=C3C)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CN(N=C3C)C

InChI

InChI=1S/C17H23N3OS/c1-12-6-8-22-17(12)16(21)14-5-4-7-20(10-14)11-15-9-19(3)18-13(15)2/h6,8-9,14H,4-5,7,10-11H2,1-3H3/p+1/t14-/m0/s1