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

Systemtic Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-4-quinolone Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2/c27-13-10-20-17-25(11-12-26(20)15-18-6-2-1-3-7-18)16-19-14-23(28)21-8-4-5-9-22(21)24-19/h4-5,8-9,14,18,20,27H,1-3,6-7,10-13,15-17H2,(H,24,28)/p+1/t20-/m0/s1