(2R)-1-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-(5,7-dimethyl-2,3-diphenyl-1-indolyl)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C30H35N2O+ MolecularWeight: 439.6117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(N2CC(C[NH+]3CCCCC3)O)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(N2C[C@H](C[NH+]3CCCCC3)O)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H34N2O/c1-22-18-23(2)29-27(19-22)28(24-12-6-3-7-13-24)30(25-14-8-4-9-15-25)32(29)21-26(33)20-31-16-10-5-11-17-31/h3-4,6-9,12-15,18-19,26,33H,5,10-11,16-17,20-21H2,1-2H3/p+1/t26-/m0/s1