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

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea Openeye Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(2-chloro-4,6-dimethyl-phenyl)thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]thiourea IUPAC Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(2-chloro-4,6-dimethylphenyl)thiourea Traditional Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(2-chloro-4,6-dimethyl-phenyl)thiourea Formula: C20H25ClN3S+ MolecularWeight: 374.9506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NC2CC[NH+](C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H24ClN3S/c1-14-10-15(2)19(18(21)11-14)23-20(25)22-17-8-9-24(13-17)12-16-6-4-3-5-7-16/h3-7,10-11,17H,8-9,12-13H2,1-2H3,(H2,22,23,25)/p+1/t17-/m0/s1