[(3S)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-(3-chloro-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C19H23ClNO3S+ MolecularWeight: 380.90882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=C(C(=C3)Cl)O)OC

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=C(C(=C3)Cl)O)OC

InChI

InChI=1S/C19H22ClNO3S/c1-12-5-7-25-19(12)17(22)14-4-3-6-21(11-14)10-13-8-15(20)18(23)16(9-13)24-2/h5,7-9,14,23H,3-4,6,10-11H2,1-2H3/p+1/t14-/m0/s1