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

Systemtic Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-3-ethyl-urea Openeye Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-3-ethyl-urea CAS Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-3-ethylurea IUPAC Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-3-ethylurea Traditional Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-3-ethyl-urea Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NCC1=C([NH+]=CC=C1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCNC(=O)NCC1=C([NH+]=CC=C1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H22N4O/c1-2-19-18(23)21-12-15-8-5-10-20-17(15)22-11-9-14-6-3-4-7-16(14)13-22/h3-8,10H,2,9,11-13H2,1H3,(H2,19,21,23)/p+1