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

Systemtic Name: 1-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea Openeye Name: 1-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-3-[2-(2-thienyl)ethyl]urea CAS Name: 1-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-3-(2-thiophen-2-ylethyl)urea IUPAC Name: 1-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea Traditional Name: 1-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]-3-[2-(2-thienyl)ethyl]urea Formula: C17H23N4OS+ MolecularWeight: 331.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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