tert-butyl-[3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[1-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]propyl]ammonium Formula: C20H33N3O+2 MolecularWeight: 331.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCC(=CC1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCC(=CC1)C2=CC=CC=C2

InChI

InChI=1S/C20H31N3O/c1-20(2,3)22-13-7-12-21-19(24)16-23-14-10-18(11-15-23)17-8-5-4-6-9-17/h4-6,8-10,22H,7,11-16H2,1-3H3,(H,21,24)/p+2