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

Systemtic Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(5,7-dimethyl-2,3-diphenyl-1-indolyl)-2-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-3-(5,7-dimethyl-2,3-diphenylindol-1-yl)-2-hydroxypropyl]azanium Traditional Name: benzyl-[(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]ammonium Formula: C32H33N2O+ MolecularWeight: 461.61722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(N2CC(C[NH2+]CC3=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+]CC3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C32H32N2O/c1-23-18-24(2)31-29(19-23)30(26-14-8-4-9-15-26)32(27-16-10-5-11-17-27)34(31)22-28(35)21-33-20-25-12-6-3-7-13-25/h3-19,28,33,35H,20-22H2,1-2H3/p+1/t28-/m0/s1