[(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-oxidanyl-propyl]-(2-hydroxyethyl)azanium

Systemtic Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-oxidanyl-propyl]-(2-hydroxyethyl)azanium Openeye Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]-(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-1-indolyl)-2-hydroxypropyl]-(2-hydroxyethyl)ammonium IUPAC Name: [(2S)-3-(5,7-dimethyl-2,3-diphenylindol-1-yl)-2-hydroxypropyl]-(2-hydroxyethyl)azanium Traditional Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]-(2-hydroxyethyl)ammonium Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(N2CC(C[NH2+]CCO)O)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(N2C[C@H](C[NH2+]CCO)O)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H30N2O2/c1-19-15-20(2)26-24(16-19)25(21-9-5-3-6-10-21)27(22-11-7-4-8-12-22)29(26)18-23(31)17-28-13-14-30/h3-12,15-16,23,28,30-31H,13-14,17-18H2,1-2H3/p+1/t23-/m0/s1