bis(3-methylbutyl)-[(4R)-5-oxidanyl-4-[(phenylmethyl)azaniumyl]pent-2-ynyl]azanium

Systemtic Name: bis(3-methylbutyl)-[(4R)-5-oxidanyl-4-[(phenylmethyl)azaniumyl]pent-2-ynyl]azanium Openeye Name: [(4R)-4-(benzylammonio)-5-hydroxy-pent-2-ynyl]-diisopentyl-ammonium CAS Name: [(4R)-5-hydroxy-4-[(phenylmethyl)ammonio]pent-2-ynyl]-bis(3-methylbutyl)ammonium IUPAC Name: [(4R)-4-(benzylazaniumyl)-5-hydroxypent-2-ynyl]-bis(3-methylbutyl)azanium Traditional Name: [(4R)-4-(benzylammonio)-5-hydroxy-pent-2-ynyl]-diisoamyl-ammonium Formula: C22H38N2O+2 MolecularWeight: 346.54992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O/c1-19(2)12-15-24(16-13-20(3)4)14-8-11-22(18-25)23-17-21-9-6-5-7-10-21/h5-7,9-10,19-20,22-23,25H,12-18H2,1-4H3/p+2/t22-/m1/s1