1-phenethyl-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-phenethyl-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-phenethyl-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-phenethyl-3-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-phenethyl-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-phenethyl-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:

C1CC[NH+](C1)C(CNC(=S)NCCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=S)NCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3S/c25-21(22-14-13-18-9-3-1-4-10-18)23-17-20(24-15-7-8-16-24)19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2,(H2,22,23,25)/p+1/t20-/m1/s1