(2S)-N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopentyl-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopentyl-2-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopentyl-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]propionamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CC[NH+](CC3)C(C)C(=O)NC4CCCC4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CC[NH+](CC3)[C@@H](C)C(=O)NC4CCCC4

InChI

InChI=1S/C22H30N4O3S/c1-16-14-18-6-5-9-20(21(18)23-15-16)30(28,29)26-12-10-25(11-13-26)17(2)22(27)24-19-7-3-4-8-19/h5-6,9,14-15,17,19H,3-4,7-8,10-13H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1