1-(3,5-dimethylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3S/c1-16-12-17(2)14-19(13-16)23-21(25)22-15-20(24-10-6-7-11-24)18-8-4-3-5-9-18/h3-5,8-9,12-14,20H,6-7,10-11,15H2,1-2H3,(H2,22,23,25)/p+1/t20-/m1/s1