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

Systemtic Name: 2-acetamidoethyl-[[3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[3-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl]azanium Traditional Name: 2-acetamidoethyl-[3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C20H35N3O3+2 MolecularWeight: 365.5102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]CC1=CC(=CC=C1)OCC(C[NH+]2CCCCCC2)O

Isomeric SMILES

CC(=O)NCC[NH2+]CC1=CC(=CC=C1)OC[C@@H](C[NH+]2CCCCCC2)O

InChI

InChI=1S/C20H33N3O3/c1-17(24)22-10-9-21-14-18-7-6-8-20(13-18)26-16-19(25)15-23-11-4-2-3-5-12-23/h6-8,13,19,21,25H,2-5,9-12,14-16H2,1H3,(H,22,24)/p+2/t19-/m1/s1