2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylindolin-1-yl]ethanone CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylindolin-1-yl]ethanone Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H25N3O2/c1-16-14-17-4-2-3-5-20(17)24(16)21(26)15-22-10-12-23(13-11-22)18-6-8-19(25)9-7-18/h2-9,16,25H,10-15H2,1H3/p+1/t16-/m0/s1