[(2R)-3-[4-[(4-ethanoyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[4-[(4-ethanoyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-3-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-3-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-3-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-3-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium Formula: C22H39N3O4+2 MolecularWeight: 409.56276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O4/c1-17(2)23(4)15-20(27)16-29-21-8-7-19(13-22(21)28-5)14-24-9-6-10-25(12-11-24)18(3)26/h7-8,13,17,20,27H,6,9-12,14-16H2,1-5H3/p+2/t20-/m1/s1