1-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-(2-thiophen-2-ylethyl)urea

Systemtic Name: 1-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-(2-thiophen-2-ylethyl)urea Openeye Name: 1-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-[2-(2-thienyl)ethyl]urea CAS Name: 1-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-3-(2-thiophen-2-ylethyl)urea IUPAC Name: 1-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-(2-thiophen-2-ylethyl)urea Traditional Name: 1-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]-3-[2-(2-thienyl)ethyl]urea Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C17H22N4OS/c22-17(18-8-7-15-4-3-11-23-15)20-13-14-5-6-16(19-12-14)21-9-1-2-10-21/h3-6,11-12H,1-2,7-10,13H2,(H2,18,20,22)/p+1