2-[(2S)-1-(3-phenylpropyl)-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-(6-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-(6-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-(6-quinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C25H32N3O+ MolecularWeight: 390.54108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC4=C(C=C3)N=CC=C4

InChI

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