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

Systemtic Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-oxidanyl-propyl]-(3-oxidanylpropyl)azanium Openeye Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]-(3-hydroxypropyl)ammonium CAS Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-1-indolyl)-2-hydroxypropyl]-(3-hydroxypropyl)ammonium IUPAC Name: [(2S)-3-(5,7-dimethyl-2,3-diphenylindol-1-yl)-2-hydroxypropyl]-(3-hydroxypropyl)azanium Traditional Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]-(3-hydroxypropyl)ammonium Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O2/c1-20-16-21(2)27-25(17-20)26(22-10-5-3-6-11-22)28(23-12-7-4-8-13-23)30(27)19-24(32)18-29-14-9-15-31/h3-8,10-13,16-17,24,29,31-32H,9,14-15,18-19H2,1-2H3/p+1/t24-/m0/s1