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

Systemtic Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-17(22(27)25-12-4-6-18-5-2-3-7-21(18)25)23-13-15-24(16-14-23)19-8-10-20(11-9-19)26(28)29/h2-3,5,7-11,17H,4,6,12-16H2,1H3/p+1/t17-/m0/s1