(2R)-1-(azepan-1-ium-1-yl)-3-(diphenylamino)propan-2-ol

Systemtic Name: (2R)-1-(azepan-1-ium-1-yl)-3-(diphenylamino)propan-2-ol Openeye Name: (2R)-1-(azepan-1-ium-1-yl)-3-(N-phenylanilino)propan-2-ol CAS Name: (2R)-1-(1-azepan-1-iumyl)-3-(N-phenylanilino)-2-propanol IUPAC Name: (2R)-1-(azepan-1-ium-1-yl)-3-(N-phenylanilino)propan-2-ol Traditional Name: (2R)-1-(azepan-1-ium-1-yl)-3-(N-phenylanilino)propan-2-ol Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(CN(C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](CN(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H28N2O/c24-21(17-22-15-9-1-2-10-16-22)18-23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21,24H,1-2,9-10,15-18H2/p+1/t21-/m0/s1