1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(6-pyrrolidin-1-ylpyridin-3-yl)thiourea

Systemtic Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(6-pyrrolidin-1-ylpyridin-3-yl)thiourea Openeye Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(6-pyrrolidin-1-yl-3-pyridyl)thiourea CAS Name: 1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[6-(1-pyrrolidinyl)-3-pyridinyl]thiourea IUPAC Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(6-pyrrolidin-1-ylpyridin-3-yl)thiourea Traditional Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(6-pyrrolidino-3-pyridyl)thiourea Formula: C17H28N5S+ MolecularWeight: 334.50272

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NC2=CN=C(C=C2)N3CCCC3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=S)NC2=CN=C(C=C2)N3CCCC3

InChI

InChI=1S/C17H27N5S/c1-2-21-11-5-6-15(21)13-19-17(23)20-14-7-8-16(18-12-14)22-9-3-4-10-22/h7-8,12,15H,2-6,9-11,13H2,1H3,(H2,19,20,23)/p+1/t15-/m0/s1