1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-methylphenyl)urea Openeye Name: 1-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(m-tolyl)urea CAS Name: 1-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenyl)urea Traditional Name: 1-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(m-tolyl)urea Formula: C19H26N3O2+ MolecularWeight: 328.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C19H25N3O2/c1-15-7-5-8-16(13-15)21-19(23)20-14-17(18-9-6-12-24-18)22-10-3-2-4-11-22/h5-9,12-13,17H,2-4,10-11,14H2,1H3,(H2,20,21,23)/p+1/t17-/m1/s1