diethyl-[3-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonylamino]propyl]azanium

Systemtic Name: diethyl-[3-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonylamino]propyl]azanium Openeye Name: diethyl-[3-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[oxo-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]propyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1CC2=CC=CC=C2C[NH2+]1

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)[C@H]1CC2=CC=CC=C2C[NH2+]1

InChI

InChI=1S/C17H27N3O/c1-3-20(4-2)11-7-10-18-17(21)16-12-14-8-5-6-9-15(14)13-19-16/h5-6,8-9,16,19H,3-4,7,10-13H2,1-2H3,(H,18,21)/p+2/t16-/m1/s1