bis(2-hydroxyethyl)-[(2S)-2-oxidanyl-3-(2,3,5-trimethylindol-1-yl)propyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[(2S)-2-oxidanyl-3-(2,3,5-trimethylindol-1-yl)propyl]azanium Openeye Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(2,3,5-trimethylindol-1-yl)propyl]ammonium CAS Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(2,3,5-trimethyl-1-indolyl)propyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(2,3,5-trimethylindol-1-yl)propyl]azanium Traditional Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(2,3,5-trimethylindol-1-yl)propyl]ammonium Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C)C)CC(C[NH+](CCO)CCO)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C)C)C[C@@H](C[NH+](CCO)CCO)O

InChI

InChI=1S/C18H28N2O3/c1-13-4-5-18-17(10-13)14(2)15(3)20(18)12-16(23)11-19(6-8-21)7-9-22/h4-5,10,16,21-23H,6-9,11-12H2,1-3H3/p+1/t16-/m1/s1