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

Systemtic Name: cyclohexyl-[(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]ammonium CAS Name: cyclohexyl-[(2S)-3-(5,7-dimethyl-2,3-diphenyl-1-indolyl)-2-hydroxypropyl]ammonium IUPAC Name: cyclohexyl-[(2S)-3-(5,7-dimethyl-2,3-diphenylindol-1-yl)-2-hydroxypropyl]azanium Traditional Name: cyclohexyl-[(2S)-3-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-2-hydroxy-propyl]ammonium Formula: C31H37N2O+ MolecularWeight: 453.63828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(N2CC(C[NH2+]C3CCCCC3)O)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(N2C[C@H](C[NH2+]C3CCCCC3)O)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H36N2O/c1-22-18-23(2)30-28(19-22)29(24-12-6-3-7-13-24)31(25-14-8-4-9-15-25)33(30)21-27(34)20-32-26-16-10-5-11-17-26/h3-4,6-9,12-15,18-19,26-27,32,34H,5,10-11,16-17,20-21H2,1-2H3/p+1/t27-/m0/s1