(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one CAS Name: (2R)-2-(4-benzoyl-1-piperazin-1-iumyl)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-propanone IUPAC Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one Traditional Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCCC2=CC=CC=C21)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-18(22(27)26-13-7-11-19-8-5-6-12-21(19)26)24-14-16-25(17-15-24)23(28)20-9-3-2-4-10-20/h2-6,8-10,12,18H,7,11,13-17H2,1H3/p+1/t18-/m1/s1