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

Systemtic Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-13(17(19)22)20-9-7-15(8-10-20)18(23)21-11-6-14-4-2-3-5-16(14)12-21/h2-5,13,15H,6-12H2,1H3,(H2,19,22)/p+1/t13-/m0/s1