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

Systemtic Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-oxidanyl-propyl]-phenethyl-azanium Openeye Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]-phenethyl-ammonium CAS Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-1-indolyl)-2-hydroxypropyl]-phenethylammonium IUPAC Name: [(2S)-3-(5,7-dimethyl-2,3-diphenylindol-1-yl)-2-hydroxypropyl]-phenethylazanium Traditional Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]-phenethyl-ammonium Formula: C33H35N2O+ MolecularWeight: 475.6438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(N2CC(C[NH2+]CCC3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(N2C[C@H](C[NH2+]CCC3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C33H34N2O/c1-24-20-25(2)32-30(21-24)31(27-14-8-4-9-15-27)33(28-16-10-5-11-17-28)35(32)23-29(36)22-34-19-18-26-12-6-3-7-13-26/h3-17,20-21,29,34,36H,18-19,22-23H2,1-2H3/p+1/t29-/m0/s1