2-[(2S)-1-(3-phenylpropyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-(2-pyridylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-(2-pyridinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-(2-pyridylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CC=N2)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CC=N2)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O/c25-16-11-21-18-23(17-20-10-4-5-12-22-20)14-15-24(21)13-6-9-19-7-2-1-3-8-19/h1-5,7-8,10,12,21,25H,6,9,11,13-18H2/p+1/t21-/m0/s1