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

Systemtic Name: (2S)-2-isoquinolin-2-ium-2-yl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one Openeye Name: (2S)-2-isoquinolin-2-ium-2-yl-1-[(2S)-2-methylindolin-1-yl]propan-1-one CAS Name: (2S)-2-(2-isoquinolin-2-iumyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-propanone IUPAC Name: (2S)-2-isoquinolin-2-ium-2-yl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one Traditional Name: (2S)-2-isoquinolin-2-ium-2-yl-1-[(2S)-2-methylindolin-1-yl]propan-1-one Formula: C21H21N2O+ MolecularWeight: 317.40424

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N2O/c1-15-13-18-8-5-6-10-20(18)23(15)21(24)16(2)22-12-11-17-7-3-4-9-19(17)14-22/h3-12,14-16H,13H2,1-2H3/q+1/t15-,16-/m0/s1