2-methoxy-4-[(2S)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]phenol

Systemtic Name: 2-methoxy-4-[(2S)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]phenol Openeye Name: 4-[(2S)-2-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-methoxy-phenol CAS Name: 2-methoxy-4-[(2S)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]phenol IUPAC Name: 4-[(2S)-2-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-methoxyphenol Traditional Name: 4-[(2S)-2-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-methoxy-phenol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)OC)[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)O)OC)[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2/c1-17(14-19-8-9-20(24)21(15-19)25-2)23-12-10-22(11-13-23)16-18-6-4-3-5-7-18/h3-9,15,17,24H,10-14,16H2,1-2H3/p+1/t17-/m0/s1