(2S)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)-N-quinolin-5-yl-propanamide

Systemtic Name: (2S)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)-N-quinolin-5-yl-propanamide Openeye Name: (2S)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)-N-(5-quinolyl)propanamide CAS Name: (2S)-2-[4-(1-pyrrolidinylsulfonyl)-1-piperazin-1-iumyl]-N-(5-quinolinyl)propanamide IUPAC Name: (2S)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)-N-quinolin-5-ylpropanamide Traditional Name: (2S)-2-(4-pyrrolidinosulfonylpiperazin-1-ium-1-yl)-N-(5-quinolyl)propionamide Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H27N5O3S/c1-16(20(26)22-19-8-4-7-18-17(19)6-5-9-21-18)23-12-14-25(15-13-23)29(27,28)24-10-2-3-11-24/h4-9,16H,2-3,10-15H2,1H3,(H,22,26)/p+1/t16-/m0/s1