[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-[(2-methyl-5-thiazolyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C20H26N2O2S/c1-14(2)24-18-8-4-6-16(10-18)20(23)17-7-5-9-22(12-17)13-19-11-21-15(3)25-19/h4,6,8,10-11,14,17H,5,7,9,12-13H2,1-3H3/p+1/t17-/m0/s1