2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]acetamide Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C25H29N3O3/c1-19(29)28-11-10-20-6-4-5-9-23(20)24(28)16-25(30)26-17-21-7-2-3-8-22(21)18-27-12-14-31-15-13-27/h2-11,24H,12-18H2,1H3,(H,26,30)/p+1/t24-/m0/s1