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

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(o-tolylmethyl)-4-(2-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(2-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-(2-quinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C24H30N3O+ MolecularWeight: 376.5145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H29N3O/c1-19-6-2-3-8-21(19)16-27-14-13-26(18-23(27)12-15-28)17-22-11-10-20-7-4-5-9-24(20)25-22/h2-11,23,28H,12-18H2,1H3/p+1/t23-/m0/s1