1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl]thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1S)-1-methyl-2-(4-methylpiperidin-1-ium-1-yl)ethyl]thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-1-(4-methyl-1-piperidin-1-iumyl)propan-2-yl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl]thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1S)-1-methyl-2-(4-methylpiperidin-1-ium-1-yl)ethyl]thiourea Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C)NC(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1CC[NH+](CC1)C[C@H](C)NC(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H27N3O2S/c1-13-5-7-21(8-6-13)12-14(2)19-18(24)20-15-3-4-16-17(11-15)23-10-9-22-16/h3-4,11,13-14H,5-10,12H2,1-2H3,(H2,19,20,24)/p+1/t14-/m0/s1