bis(2-methylpropyl)-[(4R)-5-oxidanyl-4-[(phenylmethyl)azaniumyl]pent-2-ynyl]azanium

Systemtic Name: bis(2-methylpropyl)-[(4R)-5-oxidanyl-4-[(phenylmethyl)azaniumyl]pent-2-ynyl]azanium Openeye Name: [(4R)-4-(benzylammonio)-5-hydroxy-pent-2-ynyl]-diisobutyl-ammonium CAS Name: [(4R)-5-hydroxy-4-[(phenylmethyl)ammonio]pent-2-ynyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(4R)-4-(benzylazaniumyl)-5-hydroxypent-2-ynyl]-bis(2-methylpropyl)azanium Traditional Name: [(4R)-4-(benzylammonio)-5-hydroxy-pent-2-ynyl]-diisobutyl-ammonium Formula: C20H34N2O+2 MolecularWeight: 318.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC#CC(CO)[NH2+]CC1=CC=CC=C1)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC#C[C@H](CO)[NH2+]CC1=CC=CC=C1)CC(C)C

InChI

InChI=1S/C20H32N2O/c1-17(2)14-22(15-18(3)4)12-8-11-20(16-23)21-13-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-21,23H,12-16H2,1-4H3/p+2/t20-/m1/s1