[(3S)-1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C20H30N3OS+ MolecularWeight: 360.5367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=C(N(N=C3C)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3OS/c1-13(2)23-16(5)18(15(4)21-23)12-22-9-6-7-17(11-22)19(24)20-14(3)8-10-25-20/h8,10,13,17H,6-7,9,11-12H2,1-5H3/p+1/t17-/m0/s1