2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(8-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(8-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-(8-quinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C25H32N3O2+ MolecularWeight: 406.54048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H31N3O2/c1-2-30-24-10-8-20(9-11-24)17-28-15-14-27(19-23(28)12-16-29)18-22-6-3-5-21-7-4-13-26-25(21)22/h3-11,13,23,29H,2,12,14-19H2,1H3/p+1/t23-/m0/s1