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

Systemtic Name: (3-methylthiophen-2-yl)-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: [(3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: (3-methyl-2-thiophenyl)-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methylthiophen-2-yl)-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: [(3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=NN3)C(C)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=NN3)C(C)C

InChI

InChI=1S/C18H25N3OS/c1-12(2)16-9-15(19-20-16)11-21-7-4-5-14(10-21)17(22)18-13(3)6-8-23-18/h6,8-9,12,14H,4-5,7,10-11H2,1-3H3,(H,19,20)/p+1/t14-/m0/s1