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

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H27N3O2/c1-17-6-7-18-4-2-3-5-21(18)25(17)22(27)16-23-12-14-24(15-13-23)19-8-10-20(26)11-9-19/h2-5,8-11,17,26H,6-7,12-16H2,1H3/p+1/t17-/m0/s1