[4-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H26N2O4/c1-26-19-7-9-20(10-8-19)27-16-18(24)15-22-11-13-23(14-12-22)21(25)17-5-3-2-4-6-17/h2-10,18,24H,11-16H2,1H3/p+1/t18-/m0/s1