[4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(2S)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C23H31N2O6+ MolecularWeight: 431.50204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CC(COC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)C[C@@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O6/c1-28-20-13-17(14-21(29-2)22(20)30-3)23(27)25-11-9-24(10-12-25)15-18(26)16-31-19-7-5-4-6-8-19/h4-8,13-14,18,26H,9-12,15-16H2,1-3H3/p+1/t18-/m0/s1