(S)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-1-ium-4-yl]-thiophen-2-yl-methanol

Systemtic Name: (S)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-1-ium-4-yl]-thiophen-2-yl-methanol Openeye Name: (S)-[1-[(3,5-dimethylisoxazol-4-yl)methyl]piperidin-1-ium-4-yl]-(2-thienyl)methanol CAS Name: (S)-[1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-piperidin-1-iumyl]-thiophen-2-ylmethanol IUPAC Name: (S)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-1-ium-4-yl]-thiophen-2-ylmethanol Traditional Name: (S)-[1-[(3,5-dimethylisoxazol-4-yl)methyl]piperidin-1-ium-4-yl]-(2-thienyl)methanol Formula: C16H23N2O2S+ MolecularWeight: 307.43102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCC(CC2)C(C3=CC=CS3)O

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCC(CC2)[C@@H](C3=CC=CS3)O

InChI

InChI=1S/C16H22N2O2S/c1-11-14(12(2)20-17-11)10-18-7-5-13(6-8-18)16(19)15-4-3-9-21-15/h3-4,9,13,16,19H,5-8,10H2,1-2H3/p+1/t16-/m0/s1