1-[(2S)-5-(2-isoquinolin-2-ium-2-ylethanoyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

Systemtic Name: 1-[(2S)-5-(2-isoquinolin-2-ium-2-ylethanoyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one Openeye Name: 1-[(2S)-5-(2-isoquinolin-2-ium-2-ylacetyl)-2-methyl-indolin-1-yl]propan-1-one CAS Name: 1-[(2S)-5-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]-2-methyl-2,3-dihydroindol-1-yl]-1-propanone IUPAC Name: 1-[(2S)-5-(2-isoquinolin-2-ium-2-ylacetyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one Traditional Name: 1-[(2S)-5-(2-isoquinolin-2-ium-2-ylacetyl)-2-methyl-indolin-1-yl]propan-1-one Formula: C23H23N2O2+ MolecularWeight: 359.44092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC2=C1C=CC(=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CCC(=O)N1[C@H](CC2=C1C=CC(=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C23H23N2O2/c1-3-23(27)25-16(2)12-20-13-18(8-9-21(20)25)22(26)15-24-11-10-17-6-4-5-7-19(17)14-24/h4-11,13-14,16H,3,12,15H2,1-2H3/q+1/t16-/m0/s1