tert-butyl-[3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]propyl]ammonium Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCC2=CC=CC=C2C1

InChI

InChI=1S/C18H29N3O/c1-18(2,3)20-11-6-10-19-17(22)14-21-12-9-15-7-4-5-8-16(15)13-21/h4-5,7-8,20H,6,9-14H2,1-3H3,(H,19,22)/p+2