(2S)-1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-1-one Openeye Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-propanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-1-one Traditional Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-1-one Formula: C21H23N2O+ MolecularWeight: 319.42012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N2O/c1-14-20(18-9-5-6-10-19(18)22-14)21(24)15(2)23-12-11-16-7-3-4-8-17(16)13-23/h3-10,15,22H,11-13H2,1-2H3/p+1/t15-/m0/s1