[(2R)-3-[5-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[5-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-3-[5-[(4-acetylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-3-[5-[(4-acetyl-1-piperazin-1-iumyl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-3-[5-[(4-acetylpiperazin-1-ium-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-3-[5-[(4-acetylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium Formula: C21H37N3O4+2 MolecularWeight: 395.53618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O4/c1-16(2)22(4)14-19(26)15-28-21-12-18(6-7-20(21)27-5)13-23-8-10-24(11-9-23)17(3)25/h6-7,12,16,19,26H,8-11,13-15H2,1-5H3/p+2/t19-/m1/s1