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

Systemtic Name: 2-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3S)-4-(2-ethoxybenzyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-4-quinolone Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2CCO)CC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H31N3O3/c1-2-31-25-10-6-3-7-19(25)16-28-13-12-27(18-21(28)11-14-29)17-20-15-24(30)22-8-4-5-9-23(22)26-20/h3-10,15,21,29H,2,11-14,16-18H2,1H3,(H,26,30)/p+1/t21-/m0/s1