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

Systemtic Name: [(2S)-3-(5-methyl-2,3-diphenyl-indol-1-yl)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-2-hydroxy-3-(5-methyl-2,3-diphenyl-indol-1-yl)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(5-methyl-2,3-diphenyl-1-indolyl)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]azanium Traditional Name: benzyl-[(2S)-2-hydroxy-3-(5-methyl-2,3-diphenyl-indol-1-yl)propyl]ammonium Formula: C31H31N2O+ MolecularWeight: 447.59064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CC(C[NH2+]CC5=CC=CC=C5)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C[C@H](C[NH2+]CC5=CC=CC=C5)O

InChI

InChI=1S/C31H30N2O/c1-23-17-18-29-28(19-23)30(25-13-7-3-8-14-25)31(26-15-9-4-10-16-26)33(29)22-27(34)21-32-20-24-11-5-2-6-12-24/h2-19,27,32,34H,20-22H2,1H3/p+1/t27-/m0/s1