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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=NC3=CC=CC=C23)CCO)CCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=NC3=CC=CC=C23)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O/c28-17-12-22-19-26(15-16-27(22)14-11-20-6-2-1-3-7-20)18-21-10-13-25-24-9-5-4-8-23(21)24/h1-10,13,22,28H,11-12,14-19H2/p+1/t22-/m0/s1