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

Systemtic Name: [7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-1-ium-3-yl]methyl-[(1S)-1-naphthalen-1-ylethyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-chloro-quinolin-1-ium-3-yl]methyl-[(1S)-1-(1-naphthyl)ethyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-chloro-3-quinolin-1-iumyl]methyl-[(1S)-1-(1-naphthalenyl)ethyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-chloroquinolin-1-ium-3-yl]methyl-[(1S)-1-naphthalen-1-ylethyl]azanium Traditional Name: [2-(4-acetylpiperazino)-7-chloro-quinolin-1-ium-3-yl]methyl-[(1S)-1-(1-naphthyl)ethyl]ammonium Formula: C28H31ClN4O+2 MolecularWeight: 475.02494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)[NH2+]CC3=C([NH+]=C4C=C(C=CC4=C3)Cl)N5CCN(CC5)C(=O)C

Isomeric SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)[NH2+]CC3=C([NH+]=C4C=C(C=CC4=C3)Cl)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C28H29ClN4O/c1-19(25-9-5-7-21-6-3-4-8-26(21)25)30-18-23-16-22-10-11-24(29)17-27(22)31-28(23)33-14-12-32(13-15-33)20(2)34/h3-11,16-17,19,30H,12-15,18H2,1-2H3/p+2/t19-/m0/s1