[(2S)-3-[2-[(2-acetamidoethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium

Systemtic Name: [(2S)-3-[2-[(2-acetamidoethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium Openeye Name: [(2S)-3-[2-[(2-acetamidoethylammonio)methyl]phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: [(2S)-3-[2-[(2-acetamidoethylammonio)methyl]phenoxy]-2-hydroxypropyl]-cyclohexyl-methylammonium IUPAC Name: [(2S)-3-[2-[(2-acetamidoethylazaniumyl)methyl]phenoxy]-2-hydroxypropyl]-cyclohexyl-methylazanium Traditional Name: [(2S)-3-[2-[(2-acetamidoethylammonio)methyl]phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C21H37N3O3+2 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]CC1=CC=CC=C1OCC(C[NH+](C)C2CCCCC2)O

Isomeric SMILES

CC(=O)NCC[NH2+]CC1=CC=CC=C1OC[C@H](C[NH+](C)C2CCCCC2)O

InChI

InChI=1S/C21H35N3O3/c1-17(25)23-13-12-22-14-18-8-6-7-11-21(18)27-16-20(26)15-24(2)19-9-4-3-5-10-19/h6-8,11,19-20,22,26H,3-5,9-10,12-16H2,1-2H3,(H,23,25)/p+2/t20-/m0/s1