1-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-p-cumenyl-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C22H30N3S+ MolecularWeight: 368.5587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3S/c1-17(2)18-10-12-20(13-11-18)24-22(26)23-16-21(25-14-6-7-15-25)19-8-4-3-5-9-19/h3-5,8-13,17,21H,6-7,14-16H2,1-2H3,(H2,23,24,26)/p+1/t21-/m1/s1