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

Systemtic Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[(4-propan-2-yl-2-thiazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=CSC(=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C22H30N2O2S/c1-15(2)20-14-27-21(23-20)13-24-10-6-8-18(12-24)22(25)17-7-5-9-19(11-17)26-16(3)4/h5,7,9,11,14-16,18H,6,8,10,12-13H2,1-4H3/p+1/t18-/m0/s1