(2S)-N-tert-butyl-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-tert-butyl-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-tert-butyl-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-tert-butyl-2-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-tert-butyl-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-tert-butyl-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)[NH+]1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H33N3O2/c1-16(20(26)23-22(2,3)4)24-12-10-18(11-13-24)21(27)25-14-9-17-7-5-6-8-19(17)15-25/h5-8,16,18H,9-15H2,1-4H3,(H,23,26)/p+1/t16-/m0/s1