1-[(2S)-1-methoxypropan-2-yl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-[(2S)-1-methoxypropan-2-yl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(1S)-2-methoxy-1-methyl-ethyl]thiourea CAS Name: 1-[(2S)-1-methoxypropan-2-yl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(2S)-1-methoxypropan-2-yl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(1S)-2-methoxy-1-methyl-ethyl]thiourea Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)NC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](COC)NC(=S)NC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N3OS/c1-14(13-21-2)18-17(22)19-16-8-10-20(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,18,19,22)/p+1/t14-/m0/s1