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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-1-(4-morpholin-4-iumyl)-1-cyclohexanecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1-morpholin-4-ium-4-ylcyclohexane-1-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide Formula: C25H39N3O2+2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2CCC[NH+](C2)C3CC4=CC=CC=C4C3)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(C(=O)N[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3)[NH+]5CCOCC5

InChI

InChI=1S/C25H37N3O2/c29-24(25(10-4-1-5-11-25)28-13-15-30-16-14-28)26-22-9-6-12-27(19-22)23-17-20-7-2-3-8-21(20)18-23/h2-3,7-8,22-23H,1,4-6,9-19H2,(H,26,29)/p+2/t22-/m0/s1