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

Systemtic Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N,N-dimethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-N,N-dimethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-N,N-dimethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N,N-dimethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-N,N-dimethyl-piperidin-1-ium-3-carboxamide Formula: C22H35N3O+2 MolecularWeight: 357.5328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O/c1-23(2)22(26)19-8-5-11-25(16-19)20-9-12-24(13-10-20)21-14-17-6-3-4-7-18(17)15-21/h3-4,6-7,19-21H,5,8-16H2,1-2H3/p+2/t19-/m0/s1