[2-[[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c1-17(27)26-13-12-18-8-6-7-11-21(18)22(26)14-23(28)24-15-19-9-4-5-10-20(19)16-25(2)3/h4-13,22H,14-16H2,1-3H3,(H,24,28)/p+1/t22-/m0/s1