(4-methoxyphenyl)-[4-[(2R)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[4-[(2R)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone CAS Name: [4-[(2R)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(COC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C21H26N2O4/c1-26-19-9-7-17(8-10-19)21(25)23-13-11-22(12-14-23)15-18(24)16-27-20-5-3-2-4-6-20/h2-10,18,24H,11-16H2,1H3/p+1/t18-/m1/s1