1-(4-ethoxyphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea Openeye Name: 1-(4-ethoxyphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea CAS Name: 1-(4-ethoxyphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea IUPAC Name: 1-(4-ethoxyphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea Traditional Name: 1-p-phenetyl-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NCC[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NCC[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H25N3O2/c1-2-25-19-9-7-18(8-10-19)22-20(24)21-12-14-23-13-11-16-5-3-4-6-17(16)15-23/h3-10H,2,11-15H2,1H3,(H2,21,22,24)/p+1