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

Systemtic Name: [(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[(4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-(4-hydroxybenzyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C18H22NO2S+ MolecularWeight: 316.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2S/c1-13-8-10-22-18(13)17(21)15-3-2-9-19(12-15)11-14-4-6-16(20)7-5-14/h4-8,10,15,20H,2-3,9,11-12H2,1H3/p+1/t15-/m0/s1