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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=S)NCC3CCCO3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C18H27N3OS/c23-18(20-13-17-4-3-11-22-17)19-12-15-5-7-16(8-6-15)14-21-9-1-2-10-21/h5-8,17H,1-4,9-14H2,(H2,19,20,23)/p+1/t17-/m1/s1