1-(2-phenylsulfanylethyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea

Systemtic Name: 1-(2-phenylsulfanylethyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-(2-phenylsulfanylethyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-[2-(phenylthio)ethyl]-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(2-phenylsulfanylethyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-[2-(phenylthio)ethyl]-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C19H24N4OS/c24-19(21-10-13-25-17-6-2-1-3-7-17)22-15-16-8-9-20-18(14-16)23-11-4-5-12-23/h1-3,6-9,14H,4-5,10-13,15H2,(H2,21,22,24)/p+1