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

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-(2-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-(2-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-(2-quinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C25H32N3O+ MolecularWeight: 390.54108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=NC3=CC=CC=C3C=C2)CCO)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=NC3=CC=CC=C3C=C2)CCO)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O/c29-18-14-24-20-27(19-23-13-12-22-10-4-5-11-25(22)26-23)16-17-28(24)15-6-9-21-7-2-1-3-8-21/h1-5,7-8,10-13,24,29H,6,9,14-20H2/p+1/t24-/m0/s1