[7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-1-ium-3-yl]methyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: [7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-1-ium-3-yl]methyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-chloro-quinolin-1-ium-3-yl]methyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-chloro-3-quinolin-1-iumyl]methyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-chloroquinolin-1-ium-3-yl]methyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: [2-(4-acetylpiperazino)-7-chloro-quinolin-1-ium-3-yl]methyl-[(2S)-2-hydroxypropyl]ammonium Formula: C19H27ClN4O2+2 MolecularWeight: 378.89628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CC1=C([NH+]=C2C=C(C=CC2=C1)Cl)N3CCN(CC3)C(=O)C)O

Isomeric SMILES

C[C@@H](C[NH2+]CC1=C([NH+]=C2C=C(C=CC2=C1)Cl)N3CCN(CC3)C(=O)C)O

InChI

InChI=1S/C19H25ClN4O2/c1-13(25)11-21-12-16-9-15-3-4-17(20)10-18(15)22-19(16)24-7-5-23(6-8-24)14(2)26/h3-4,9-10,13,21,25H,5-8,11-12H2,1-2H3/p+2/t13-/m0/s1