1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-3-(furan-2-ylmethyl)urea

Systemtic Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-3-(furan-2-ylmethyl)urea Openeye Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-3-(2-furylmethyl)urea CAS Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-3-(2-furanylmethyl)urea IUPAC Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-3-(furan-2-ylmethyl)urea Traditional Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-3-(2-furfuryl)urea Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC=[NH+]3)CNC(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H22N4O2/c26-21(24-14-19-8-4-12-27-19)23-13-17-7-3-10-22-20(17)25-11-9-16-5-1-2-6-18(16)15-25/h1-8,10,12H,9,11,13-15H2,(H2,23,24,26)/p+1