1-adamantylmethyl-[[4-[(2S)-3-(dimethylazaniumyl)-2-oxidanyl-propoxy]phenyl]methyl]-methyl-azanium

Systemtic Name: 1-adamantylmethyl-[[4-[(2S)-3-(dimethylazaniumyl)-2-oxidanyl-propoxy]phenyl]methyl]-methyl-azanium Openeye Name: 1-adamantylmethyl-[[4-[(2S)-3-(dimethylammonio)-2-hydroxy-propoxy]phenyl]methyl]-methyl-ammonium CAS Name: 1-adamantylmethyl-[[4-[(2S)-3-(dimethylammonio)-2-hydroxypropoxy]phenyl]methyl]-methylammonium IUPAC Name: 1-adamantylmethyl-[[4-[(2S)-3-(dimethylazaniumyl)-2-hydroxypropoxy]phenyl]methyl]-methylazanium Traditional Name: 1-adamantylmethyl-[4-[(2S)-3-(dimethylammonio)-2-hydroxy-propoxy]benzyl]-methyl-ammonium Formula: C24H40N2O2+2 MolecularWeight: 388.5866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(COC1=CC=C(C=C1)C[NH+](C)CC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

C[NH+](C)C[C@@H](COC1=CC=C(C=C1)C[NH+](C)CC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C24H38N2O2/c1-25(2)15-22(27)16-28-23-6-4-18(5-7-23)14-26(3)17-24-11-19-8-20(12-24)10-21(9-19)13-24/h4-7,19-22,27H,8-17H2,1-3H3/p+2/t19?,20?,21?,22-,24?/m0/s1