[(3S)-3-(2-phenoxyethyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-3-(2-phenoxyethyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(4-isopropylthiazol-2-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-3-(2-phenoxyethyl)-1-[(4-propan-2-yl-2-thiazolyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-(2-phenoxyethyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(4-isopropylthiazol-2-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-yl]methanol Formula: C21H31N2O2S+ MolecularWeight: 375.54804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)C[NH+]2CCCC(C2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)C1=CSC(=N1)C[NH+]2CCC[C@@](C2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C21H30N2O2S/c1-17(2)19-14-26-20(22-19)13-23-11-6-9-21(15-23,16-24)10-12-25-18-7-4-3-5-8-18/h3-5,7-8,14,17,24H,6,9-13,15-16H2,1-2H3/p+1/t21-/m0/s1