4,4-diphenyl-2-[(1R)-1-piperidin-1-ium-1-ylpropyl]-3,1-benzoxazine

Systemtic Name: 4,4-diphenyl-2-[(1R)-1-piperidin-1-ium-1-ylpropyl]-3,1-benzoxazine Openeye Name: 4,4-diphenyl-2-[(1R)-1-piperidin-1-ium-1-ylpropyl]-3,1-benzoxazine CAS Name: 4,4-diphenyl-2-[(1R)-1-(1-piperidin-1-iumyl)propyl]-3,1-benzoxazine IUPAC Name: 4,4-diphenyl-2-[(1R)-1-piperidin-1-ium-1-ylpropyl]-3,1-benzoxazine Traditional Name: 4,4-diphenyl-2-[(1R)-1-piperidin-1-ium-1-ylpropyl]-3,1-benzoxazine Formula: C28H31N2O+ MolecularWeight: 411.55854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)[NH+]5CCCCC5

Isomeric SMILES

CC[C@H](C1=NC2=CC=CC=C2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)[NH+]5CCCCC5

InChI

InChI=1S/C28H30N2O/c1-2-26(30-20-12-5-13-21-30)27-29-25-19-11-10-18-24(25)28(31-27,22-14-6-3-7-15-22)23-16-8-4-9-17-23/h3-4,6-11,14-19,26H,2,5,12-13,20-21H2,1H3/p+1/t26-/m1/s1