1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(methylamino)-4-phenyl-3-propyl-piperidin-1-ium-2,6-dione

Systemtic Name: 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(methylamino)-4-phenyl-3-propyl-piperidin-1-ium-2,6-dione Openeye Name: 1-(2-indan-5-ylethyl)-1-(methylamino)-4-phenyl-3-propyl-piperidin-1-ium-2,6-dione CAS Name: 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(methylamino)-4-phenyl-3-propylpiperidin-1-ium-2,6-dione IUPAC Name: 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(methylamino)-4-phenyl-3-propylpiperidin-1-ium-2,6-dione Traditional Name: 1-(2-indan-5-ylethyl)-1-(methylamino)-4-phenyl-3-propyl-piperidin-1-ium-2,6-quinone Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(CC(=O)[N+](C1=O)(CCC2=CC3=C(CCC3)C=C2)NC)C4=CC=CC=C4

Isomeric SMILES

CCCC1C(CC(=O)[N+](C1=O)(CCC2=CC3=C(CCC3)C=C2)NC)C4=CC=CC=C4

InChI

InChI=1S/C26H33N2O2/c1-3-8-23-24(21-9-5-4-6-10-21)18-25(29)28(27-2,26(23)30)16-15-19-13-14-20-11-7-12-22(20)17-19/h4-6,9-10,13-14,17,23-24,27H,3,7-8,11-12,15-16,18H2,1-2H3/q+1