(2S)-2-[4-(2-cyclopentylethanoyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide

Systemtic Name: (2S)-2-[4-(2-cyclopentylethanoyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide Openeye Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propanamide CAS Name: (2S)-2-[4-(2-cyclopentyl-1-oxoethyl)-1-piperazin-1-iumyl]-N-(5-quinolinyl)propanamide IUPAC Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-quinolin-5-ylpropanamide Traditional Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propionamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C(=O)CC4CCCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C(=O)CC4CCCC4

InChI

InChI=1S/C23H30N4O2/c1-17(23(29)25-21-10-4-9-20-19(21)8-5-11-24-20)26-12-14-27(15-13-26)22(28)16-18-6-2-3-7-18/h4-5,8-11,17-18H,2-3,6-7,12-16H2,1H3,(H,25,29)/p+1/t17-/m0/s1