1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea Openeye Name: 1-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[[(2R)-2-oxolanyl]methyl]-3-[4-(1-piperidin-1-iumylmethyl)phenyl]thiourea IUPAC Name: 1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea Traditional Name: 1-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C18H28N3OS+ MolecularWeight: 334.49942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NCC3CCCO3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C18H27N3OS/c23-18(19-13-17-5-4-12-22-17)20-16-8-6-15(7-9-16)14-21-10-2-1-3-11-21/h6-9,17H,1-5,10-14H2,(H2,19,20,23)/p+1/t17-/m1/s1