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

Systemtic Name: 2-[(2S)-1-phenethyl-4-(quinolin-8-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-phenethyl-4-(8-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-phenethyl-4-(8-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-phenethyl-4-(quinolin-8-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-phenethyl-4-(8-quinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C24H30N3O+ MolecularWeight: 376.5145

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCC2=CC=CC=C2)CCO)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCC2=CC=CC=C2)CCO)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C24H29N3O/c28-17-12-23-19-26(15-16-27(23)14-11-20-6-2-1-3-7-20)18-22-9-4-8-21-10-5-13-25-24(21)22/h1-10,13,23,28H,11-12,14-19H2/p+1/t23-/m0/s1