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

Systemtic Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium Openeye Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]-(2-furylmethyl)ammonium CAS Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-1-indolyl)-2-hydroxypropyl]-(2-furanylmethyl)ammonium IUPAC Name: [(2S)-3-(5,7-dimethyl-2,3-diphenylindol-1-yl)-2-hydroxypropyl]-(furan-2-ylmethyl)azanium Traditional Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]-(2-furfuryl)ammonium Formula: C30H31N2O2+ MolecularWeight: 451.57934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(N2CC(C[NH2+]CC3=CC=CO3)O)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(N2C[C@H](C[NH2+]CC3=CC=CO3)O)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H30N2O2/c1-21-16-22(2)29-27(17-21)28(23-10-5-3-6-11-23)30(24-12-7-4-8-13-24)32(29)20-25(33)18-31-19-26-14-9-15-34-26/h3-17,25,31,33H,18-20H2,1-2H3/p+1/t25-/m0/s1