(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one

Systemtic Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C22H25N3O2/c1-15-21(17-7-3-4-8-18(17)23-15)22(27)16(2)24-11-13-25(14-12-24)19-9-5-6-10-20(19)26/h3-10,16,23,26H,11-14H2,1-2H3/p+1/t16-/m0/s1