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

Systemtic Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-4-quinolone Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H31N3O2/c26-13-10-19-16-24(11-12-25(19)18-6-2-1-3-7-18)15-17-14-22(27)20-8-4-5-9-21(20)23-17/h4-5,8-9,14,18-19,26H,1-3,6-7,10-13,15-16H2,(H,23,27)/p+1/t19-/m0/s1