2-acetamidoethyl-[[3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl]azanium

Systemtic Name: 2-acetamidoethyl-[[3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 2-acetamidoethyl-[3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]ammonium Formula: C22H39N3O4+2 MolecularWeight: 409.56276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCCCC2)O

Isomeric SMILES

CC(=O)NCC[NH2+]CC1=CC(=C(C=C1)OC)OC[C@@H](C[NH+]2CCCCCCC2)O

InChI

InChI=1S/C22H37N3O4/c1-18(26)24-11-10-23-15-19-8-9-21(28-2)22(14-19)29-17-20(27)16-25-12-6-4-3-5-7-13-25/h8-9,14,20,23,27H,3-7,10-13,15-17H2,1-2H3,(H,24,26)/p+2/t20-/m1/s1