N-[2-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]quinolin-5-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]quinolin-5-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]-5-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-1-piperazin-4-iumyl]methyl]-5-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-4-ium-1-yl]methyl]quinolin-5-yl]acetamide Traditional Name: N-[2-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]-5-quinolyl]acetamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=NC3=C(C=C2)C(=CC=C3)NC(=O)C

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=NC3=C(C=C2)C(=CC=C3)NC(=O)C

InChI

InChI=1S/C21H30N4O2/c1-15(2)25-11-10-24(14-18(25)9-12-26)13-17-7-8-19-20(22-16(3)27)5-4-6-21(19)23-17/h4-8,15,18,26H,9-14H2,1-3H3,(H,22,27)/p+1/t18-/m0/s1