4,4-diphenyl-6-piperidin-1-ium-1-yl-hexan-3-one nitrate

Systemtic Name: 4,4-diphenyl-6-piperidin-1-ium-1-yl-hexan-3-one nitrate Openeye Name: 4,4-diphenyl-6-piperidin-1-ium-1-yl-hexan-3-one nitrate CAS Name: 4,4-diphenyl-6-(1-piperidin-1-iumyl)-3-hexanone nitrate IUPAC Name: 4,4-diphenyl-6-piperidin-1-ium-1-ylhexan-3-one nitrate Traditional Name: 4,4-diphenyl-6-piperidin-1-ium-1-yl-hexan-3-one nitrate Formula: C23H30N2O4 MolecularWeight: 398.4953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC[NH+]1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3.[N+](=O)([O-])[O-]

Isomeric SMILES

CCC(=O)C(CC[NH+]1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3.[N+](=O)([O-])[O-]

InChI

InChI=1S/C23H29NO.NO3/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24;2-1(3)4/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3;/q;-1/p+1