3-(2,6-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Openeye Name: 3-(2,6-dimethylphenyl)-1-(2-furylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea CAS Name: 3-(2,6-dimethylphenyl)-1-(2-furanylmethyl)-1-[3-(1-pyrrolidin-1-iumyl)propyl]thiourea IUPAC Name: 3-(2,6-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Traditional Name: 3-(2,6-dimethylphenyl)-1-(2-furfuryl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CO3

InChI

InChI=1S/C21H29N3OS/c1-17-8-5-9-18(2)20(17)22-21(26)24(16-19-10-6-15-25-19)14-7-13-23-11-3-4-12-23/h5-6,8-10,15H,3-4,7,11-14,16H2,1-2H3,(H,22,26)/p+1