1-(3-chloranyl-2-methyl-phenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C18H23ClN3OS+ MolecularWeight: 364.91272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC[C@@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C18H22ClN3OS/c1-13-14(19)6-4-7-15(13)21-18(24)20-12-16(17-8-5-11-23-17)22-9-2-3-10-22/h4-8,11,16H,2-3,9-10,12H2,1H3,(H2,20,21,24)/p+1/t16-/m0/s1