1-(3-fluoranyl-4-methyl-phenyl)-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea Openeye Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]thiourea IUPAC Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C19H23FN3S+ MolecularWeight: 344.469423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3S/c1-14-7-8-16(11-18(14)20)21-19(24)22-17-9-10-23(13-17)12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-13H2,1H3,(H2,21,22,24)/p+1/t17-/m0/s1