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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(2-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(2-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-(2-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=CC=C1CN2CC[NH+](CC2CCO)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=NC4=CC=CC=C4C=C3

InChI

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