1-(3,4-dimethylphenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC(C2=CC=CO2)[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@@H](C2=CC=CO2)[NH+]3CCCC3)C

InChI

InChI=1S/C19H25N3OS/c1-14-7-8-16(12-15(14)2)21-19(24)20-13-17(18-6-5-11-23-18)22-9-3-4-10-22/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H2,20,21,24)/p+1/t17-/m0/s1