(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one

Systemtic Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one Openeye Name: (2R)-1-indolin-1-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one CAS Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-indolin-1-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one Formula: C21H33N3O+2 MolecularWeight: 343.50622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)[NH+]3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)[NH+]3CCC(CC3)[NH+]4CCCCC4

InChI

InChI=1S/C21H31N3O/c1-17(21(25)24-16-9-18-7-3-4-8-20(18)24)22-14-10-19(11-15-22)23-12-5-2-6-13-23/h3-4,7-8,17,19H,2,5-6,9-16H2,1H3/p+2/t17-/m1/s1