(2S)-N-(5-chloranylpyridin-2-yl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(5-chloranylpyridin-2-yl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(5-chloro-2-pyridyl)-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-chloropyridin-2-yl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(5-chloro-2-pyridyl)-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]propionamide Formula: C22H25ClN5O3S+ MolecularWeight: 474.9836

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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)NC4=NC=C(C=C4)Cl

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CC[NH+](CC3)[C@@H](C)C(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN5O3S/c1-15-12-17-4-3-5-19(21(17)25-13-15)32(30,31)28-10-8-27(9-11-28)16(2)22(29)26-20-7-6-18(23)14-24-20/h3-7,12-14,16H,8-11H2,1-2H3,(H,24,26,29)/p+1/t16-/m0/s1