2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]ethanone

Systemtic Name: 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]ethanone Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[2-(isopropylamino)pyridin-1-ium-1-yl]ethanone CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]ethanone IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]ethanone Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[2-(isopropylamino)pyridin-1-ium-1-yl]ethanone Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=CC=[N+]1C(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC(C)NC1=CC=CC=[N+]1C(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C21H23N3O2/c1-15(2)22-20-10-6-7-12-24(20)21(26)14-19-18-9-5-4-8-17(18)11-13-23(19)16(3)25/h4-13,15,19H,14H2,1-3H3/p+1/t19-/m1/s1