1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C21H27ClN3S+ MolecularWeight: 388.97718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3S/c1-15-12-16(2)20(18(22)13-15)24-21(26)23-14-19(25-10-6-7-11-25)17-8-4-3-5-9-17/h3-5,8-9,12-13,19H,6-7,10-11,14H2,1-2H3,(H2,23,24,26)/p+1/t19-/m1/s1