1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea Openeye Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea CAS Name: 1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea Traditional Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NCCC2=CC=C(C=C2)OC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=S)NCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H27N3OS/c1-3-20-12-4-5-15(20)13-19-17(22)18-11-10-14-6-8-16(21-2)9-7-14/h6-9,15H,3-5,10-13H2,1-2H3,(H2,18,19,22)/p+1/t15-/m0/s1