N-[2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]methyl]-6-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-1-piperazin-1-iumyl]methyl]-6-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(2-hydroxyethyl)-4-phenethylpiperazin-1-ium-1-yl]methyl]quinolin-6-yl]acetamide Traditional Name: N-[2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]methyl]-6-quinolyl]acetamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCN(C(C3)CCO)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCN([C@H](C3)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-20(32)27-23-9-10-26-22(17-23)7-8-24(28-26)18-29-14-15-30(25(19-29)12-16-31)13-11-21-5-3-2-4-6-21/h2-10,17,25,31H,11-16,18-19H2,1H3,(H,27,32)/p+1/t25-/m0/s1