1-[3-methoxy-4-[(2R)-2-oxidanyl-3-(4-propylpiperazine-1,4-diium-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[(2R)-2-oxidanyl-3-(4-propylpiperazine-1,4-diium-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2R)-2-hydroxy-3-(4-propylpiperazine-1,4-diium-1-yl)propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2R)-2-hydroxy-3-(4-propyl-1-piperazine-1,4-diiumyl)propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2R)-2-hydroxy-3-(4-propylpiperazine-1,4-diium-1-yl)propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2R)-2-hydroxy-3-(4-propylpiperazine-1,4-diium-1-yl)propoxy]-3-methoxy-phenyl]ethanone Formula: C19H32N2O4+2 MolecularWeight: 352.46838

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC[NH+](CC1)CC(COC2=C(C=C(C=C2)C(=O)C)OC)O

Isomeric SMILES

CCC[NH+]1CC[NH+](CC1)C[C@H](COC2=C(C=C(C=C2)C(=O)C)OC)O

InChI

InChI=1S/C19H30N2O4/c1-4-7-20-8-10-21(11-9-20)13-17(23)14-25-18-6-5-16(15(2)22)12-19(18)24-3/h5-6,12,17,23H,4,7-11,13-14H2,1-3H3/p+2/t17-/m1/s1