(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-(2-methylpropyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-(2-methylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-N-isobutyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-N-(2-methylpropyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-(2-methylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-N-isobutyl-piperidin-1-ium-3-carboxamide Formula: C24H39N3O+2 MolecularWeight: 385.58596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC(C)CNC(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C24H37N3O/c1-18(2)16-25-24(28)21-8-5-11-27(17-21)22-9-12-26(13-10-22)23-14-19-6-3-4-7-20(19)15-23/h3-4,6-7,18,21-23H,5,8-17H2,1-2H3,(H,25,28)/p+2/t21-/m0/s1