1-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[(2R)-1-(1-piperidin-1-iumyl)propan-2-yl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]-3-p-cumenyl-thiourea Formula: C18H30N3S+ MolecularWeight: 320.5159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NC(C)C[NH+]2CCCCC2

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)NC(=S)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H29N3S/c1-14(2)16-7-9-17(10-8-16)20-18(22)19-15(3)13-21-11-5-4-6-12-21/h7-10,14-15H,4-6,11-13H2,1-3H3,(H2,19,20,22)/p+1/t15-/m1/s1