2-[(3S)-piperidin-1-ium-3-yl]-4-(4-propan-2-ylphenyl)-1,3-thiazole

Systemtic Name: 2-[(3S)-piperidin-1-ium-3-yl]-4-(4-propan-2-ylphenyl)-1,3-thiazole Openeye Name: 4-(4-isopropylphenyl)-2-[(3S)-piperidin-1-ium-3-yl]thiazole CAS Name: 2-[(3S)-3-piperidin-1-iumyl]-4-(4-propan-2-ylphenyl)thiazole IUPAC Name: 2-[(3S)-piperidin-1-ium-3-yl]-4-(4-propan-2-ylphenyl)-1,3-thiazole Traditional Name: 4-p-cumenyl-2-[(3S)-piperidin-1-ium-3-yl]thiazole Formula: C17H23N2S+ MolecularWeight: 287.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC(=N2)C3CCC[NH2+]C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC(=N2)[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C17H22N2S/c1-12(2)13-5-7-14(8-6-13)16-11-20-17(19-16)15-4-3-9-18-10-15/h5-8,11-12,15,18H,3-4,9-10H2,1-2H3/p+1/t15-/m0/s1