[(3S,4R)-4-ethoxycarbonyl-2-methyl-decan-3-yl]-bis(phenylmethyl)azanium

Systemtic Name: [(3S,4R)-4-ethoxycarbonyl-2-methyl-decan-3-yl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(1S,2R)-2-ethoxycarbonyl-1-isopropyl-octyl]ammonium CAS Name: [(3S,4R)-4-ethoxycarbonyl-2-methyldecan-3-yl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(3S,4R)-4-ethoxycarbonyl-2-methyldecan-3-yl]azanium Traditional Name: dibenzyl-[(1S,2R)-2-carbethoxy-1-isopropyl-octyl]ammonium Formula: C28H42NO2+ MolecularWeight: 424.63858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C(C)C)[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCC[C@H]([C@H](C(C)C)[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C28H41NO2/c1-5-7-8-15-20-26(28(30)31-6-2)27(23(3)4)29(21-24-16-11-9-12-17-24)22-25-18-13-10-14-19-25/h9-14,16-19,23,26-27H,5-8,15,20-22H2,1-4H3/p+1/t26-,27+/m1/s1