methyl-(phenylmethyl)-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl]azanium Openeye Name: benzyl-[(3S)-1-(2-isopropylthiazole-4-carbonyl)-3-piperidyl]-methyl-ammonium CAS Name: methyl-[(3S)-1-[oxo-(2-propan-2-yl-4-thiazolyl)methyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]azanium Traditional Name: benzyl-[(3S)-1-(2-isopropylthiazole-4-carbonyl)-3-piperidyl]-methyl-ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)C(=O)N2CCCC(C2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=CS1)C(=O)N2CCC[C@@H](C2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3OS/c1-15(2)19-21-18(14-25-19)20(24)23-11-7-10-17(13-23)22(3)12-16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3/p+1/t17-/m0/s1