1,3-benzoxazol-2-ylmethyl-[[3-[(2S)-3-(diethylazaniumyl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzoxazol-2-ylmethyl-[[3-[(2S)-3-(diethylazaniumyl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl]-methyl-azanium Openeye Name: 1,3-benzoxazol-2-ylmethyl-[[3-[(2S)-3-(diethylammonio)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl]-methyl-ammonium CAS Name: 1,3-benzoxazol-2-ylmethyl-[[3-[(2S)-3-(diethylammonio)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]-methylammonium IUPAC Name: 1,3-benzoxazol-2-ylmethyl-[[3-[(2S)-3-(diethylazaniumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]-methylazanium Traditional Name: 1,3-benzoxazol-2-ylmethyl-[3-[(2S)-3-(diethylammonio)-2-hydroxy-propoxy]-4-methoxy-benzyl]-methyl-ammonium Formula: C24H35N3O4+2 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH+](C)CC2=NC3=CC=CC=C3O2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH+](C)CC2=NC3=CC=CC=C3O2)OC)O

InChI

InChI=1S/C24H33N3O4/c1-5-27(6-2)15-19(28)17-30-23-13-18(11-12-22(23)29-4)14-26(3)16-24-25-20-9-7-8-10-21(20)31-24/h7-13,19,28H,5-6,14-17H2,1-4H3/p+2/t19-/m0/s1