2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-1-piperazin-4-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-phenethylpiperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]-4-quinolone Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCC2=CC=CC=C2)CCO)CC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCC2=CC=CC=C2)CCO)CC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C24H29N3O2/c28-15-11-21-18-26(13-14-27(21)12-10-19-6-2-1-3-7-19)17-20-16-24(29)22-8-4-5-9-23(22)25-20/h1-9,16,21,28H,10-15,17-18H2,(H,25,29)/p+1/t21-/m0/s1